SCHEMBL7461663

SCHEMBL7461663

Cc1cc(C)cc(NCc2cscc2-c2cc(N)ccc2N)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.34
ADRA2B P18089 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC1 Q13547 1/20 0.32
HPGD P15428 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
NAT1 P18440 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7455759 0.99 MAPT (0.36) MAPTSMN1; SMN2POLBADRA2BMEN1
SCHEMBL7459664 0.86 MAPT (0.43) MAPTSMN1; SMN2ADRA2BMEN1KMT2A
SCHEMBL7460493 0.85 ADRA2B (0.37) MAPTADRA2BMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7456853 0.85 MAPT (0.42) MAPTSMN1; SMN2ADRA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL7455787 0.84 ADRA2B (0.36) MAPTADRA2BMEN1KMT2AALDH1A1
SCHEMBL7451451 0.83 NPC1 (0.40) MAPTSMN1; SMN2POLBADRA2BMEN1
SCHEMBL7451416 0.82 CA1 (0.37) MAPTADRA2BMEN1KMT2AALDH1A1
SCHEMBL7452886 0.82 ADRA2B (0.33) MAPTSMN1; SMN2POLBADRA2BMEN1
SCHEMBL7456555 0.82 APP (0.40) MAPTADRA2BMEN1KMT2AALDH1A1
SCHEMBL7455072 0.82 RPS6KA2 (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210598-A4 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-30 EP claimed
US-6452009-B1 A LARGE NUMBER OF RELATED ANALOGS ARE THEN SYNTHESIZED IN ORDER TO DEVELOP A STRUCTURE-ACTIVITY RELATIONSHIP LION BIOSCIENCE AG (DE) 2002-09-17 US claimed
EP-1210598-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2002-06-05 EP claimed
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP claimed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO claimed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
WO-2014152824-A1 POLYHETEROSILOXANE COMPOSITION AND SILICONE COMPOSITION INCLUDING A POLYHETEROSILOXANE DOW CORNING CORPORATION (US) 2014-09-25 WO disclosed
WO-2013192404-A1 POLYHETEROSILOXANE COMPOSITION DOW CORNING CORPORATION (US) 2013-12-27 WO disclosed
EP-1210598-A4 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-30 EP disclosed
US-6452009-B1 A LARGE NUMBER OF RELATED ANALOGS ARE THEN SYNTHESIZED IN ORDER TO DEVELOP A STRUCTURE-ACTIVITY RELATIONSHIP LION BIOSCIENCE AG (DE) 2002-09-17 US disclosed
EP-1210598-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2002-06-05 EP disclosed
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed