SCHEMBL7465638

SCHEMBL7465638

Nc1ccc(N)c(-c2cscc2CNc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
FFAR1 O14842 6/20 0.38
FFAR4 Q5NUL3 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GFER P55789 2/20 0.36
MAOB P27338 1/20 0.36
CACNA1B Q00975 1/20 0.35
GAA P10253 2/20 0.35
GNA15 P30679 1/20 0.34
PTGER3 P43115 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP1 Q9C000 1/20 0.34

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 SCHEMBL7457092 0.99 MEN1 (0.39) MAOAFFAR1FFAR4MEN1KMT2A
SCHEMBL7460493 0.89 ADRA2B (0.37) MAOAMEN1KMT2AALDH1A1GFER
Hydrochloric Acid SCHEMBL7455787 0.88 ADRA2B (0.36) MAOAMEN1KMT2AALDH1A1GFER
SCHEMBL7455072 0.86 RPS6KA2 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7457249 0.85 RPS6KA2 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7451451 0.82 NPC1 (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7459379 0.81 NPC1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7461007 0.81 BCHE (0.43) MEN1KMT2AALDH1A1MAOBMAPT
Hydrochloric Acid SCHEMBL7460964 0.80 BCHE (0.42) MEN1KMT2AALDH1A1MAOBMAPT
SCHEMBL7452886 0.79 ADRA2B (0.33) MAOAMEN1KMT2ANPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP 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
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP 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