SCHEMBL7451983

SCHEMBL7451983

Cc1cscc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP14 P50281 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 5/20 0.37
CYP2B6 P20813 3/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL7461184 0.85 S100B (0.35) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7458249 0.85 S100B (0.32) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7466345 0.83 KMT2A (0.32) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7467900 0.83 MAPT (0.31) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7454738 0.82 ALDH1A1 (0.32) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6572082 0.81 MAPT (0.45) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7457549 0.79 S100B (0.40) S100BMAPTKMT2AMEN1LMNA
SCHEMBL7460447 0.79 S100B (0.36) S100BMAPTKMT2AMEN1LMNA
SCHEMBL6572913 0.79 KMT2A (0.38) S100BMAPTKMT2AMEN1LMNA
SCHEMBL6572437 0.78 S100B (0.41) S100BMAPTKMT2AMEN1LMNA

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 3 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 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