SCHEMBL7987786

SCHEMBL7987786

CC(=O)c1sc2ccccc2c1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
MCL1 Q07820 5/20 0.44
LIMK1 P53667 2/20 0.44
IKBKB O14920 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
OGG1 O15527 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 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
SCHEMBL9393951 0.85 MCL1 (0.58) LMNAMAPK1MCL1LIMK1IKBKB
SCHEMBL1269967 0.83 LMNA (0.63) MAPTKMT2AGAAALOX15NPC1
SCHEMBL7984505 0.82 MCL1 (0.49) MAPTKMT2AGAAALOX15NPC1
SCHEMBL22909024 0.80 ALDH1A1 (0.59) MAPTKMT2AGAATSHRSMN1; SMN2
SCHEMBL29513021 0.80 ALDH1A1 (0.59) MAPTKMT2AGAATSHRSMN1; SMN2
SCHEMBL7985027 0.80 MCL1 (0.51) MAPTKMT2AGAAALOX15NPC1
SCHEMBL2503631 0.77 PTGS2 (0.56) MAPTKMT2AGAAALOX15NPC1
SCHEMBL9033196 0.77 LMNA (0.46) MAPTKMT2AGAAALOX15NPC1
SCHEMBL2610250 0.75 RXFP1 (0.61) MAPTKMT2AGAAALOX15NPC1
SCHEMBL9601620 0.75 RAB9A (0.61) MAPTKMT2AGAAALOX15NPC1

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-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO disclosed