SCHEMBL9681590

SCHEMBL9681590

Cc1ccc2c(C(=O)NCc3cccs3)oc(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 4/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9216807 0.85 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL9219766 0.84 ALDH1A1 (0.53) ALDH1A1LMNATP53MAPK1MAPT
SCHEMBL9221111 0.84 ALDH1A1 (0.51) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL9681584 0.83 MAPT (0.57) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL9683410 0.82 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL9681469 0.82 RAB9A (0.55) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL9212938 0.82 KDM4E (0.53) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL9217619 0.81 RXFP1 (0.51) ALDH1A1TP53MAPTHPGDSMN1; SMN2
SCHEMBL9209998 0.81 TP53 (0.44) RAB9ANPC1ALDH1A1LMNATP53
SCHEMBL9212376 0.80 HPGD (0.52) ALDH1A1LMNATP53MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed