SCHEMBL8900264

SCHEMBL8900264

COc1ccc(C(=O)O)cc1OCc1nc(-c2cccs2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 10/20 0.57
RAB9A P51151 8/20 0.57
MAPT P10636 7/20 0.57
NPC1 O15118 7/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
FFAR1 O14842 1/20 0.55
PKM P14618 4/20 0.53
GAA P10253 2/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL8902534 0.91 LMNA (0.59) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL8901242 0.84 LMNA (0.60) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL8900644 0.82 PDE4D (0.56) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL8890246 0.80 POLB (0.61) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL8890753 0.80 MAPT (0.68) LMNATSHRMAPTKMT2AMEN1
SCHEMBL8899857 0.79 MAPT (0.58) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL2705643 0.76 RAB9A (0.57) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL8899624 0.74 MAPT (0.64) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL12728834 0.71 RAB9A (0.63) LMNATSHRSMN1; SMN2RAB9AMAPT
SCHEMBL6091784 0.71 LMNA (0.58) LMNATSHRRAB9AMAPTKMT2A

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed