SCHEMBL9316232

SCHEMBL9316232

Nc1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAOA P21397 5/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 6/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MAOB P27338 3/20 0.33

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
SCHEMBL4426803 0.86 CYP3A4 (0.48) HSD17B10CYP3A4TDP1TAAR1TSHR
SCHEMBL2448169 0.76 ALDH1A1 (0.45) HSD17B10CYP3A4TDP1TAAR1TSHR
SCHEMBL2958548 0.76 ALDH1A1 (0.45) HSD17B10CYP3A4TDP1TAAR1TSHR
SCHEMBL5047733 0.75 ALDH1A1 (0.47) HSD17B10CYP3A4TDP1TAAR1KMT2A
SCHEMBL2922472 0.73 ALDH1A1 (0.35) NPC1ALDH1A1CYP1A2
SCHEMBL358614 0.73 CYP1A2 (0.48) HSD17B10CYP3A4TSHRKMT2AMEN1
SCHEMBL781962 0.73 LMNA (0.38) HSD17B10TDP1TSHRKMT2AMEN1
SCHEMBL7058842 0.73 BCL2L1 (0.48) HSD17B10TDP1KMT2AMEN1RAB9A
SCHEMBL28185184 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28033901 0.73 ALDH1A1 (0.48) TDP1RAB9ANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583417-A1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM. DU PONT (US) 1994-02-23 EP disclosed
WO-1992019654-A1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-12 WO disclosed