SCHEMBL9024364

SCHEMBL9024364

COc1c(C(=O)NCCBr)sc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 8/20 0.55
SENP2 Q9HC62 8/20 0.55
SENP1 Q9P0U3 8/20 0.55
PTGS2 P35354 2/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
NMT1 P30419 1/20 0.47
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 1/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL9024708 0.87 SENP5 (0.55) SENP5SENP2SENP1PTGS2LMNA
Bromomethane SCHEMBL11876190 0.86 SENP5 (0.50) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL11801079 0.85 SENP5 (0.52) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL9024182 0.85 SENP5 (0.58) SENP5SENP2SENP1PTGS2LMNA
Hydrochloric Acid SCHEMBL9304232 0.81 SENP5 (0.60) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL9024142 0.81 SENP5 (0.53) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL9025424 0.81 PTGS2 (0.59) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL29445497 0.80 HDAC1 (0.60) SENP5SENP2SENP1PTGS2LMNA
Hydrochloric Acid SCHEMBL9025254 0.80 PTGS2 (0.58) SENP5SENP2SENP1PTGS2LMNA
SCHEMBL9024516 0.79 SENP5 (0.48) SENP5SENP2SENP1PTGS2LMNA

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-0543584-B1 Benzo(b)thiophene-2-carboxamides for the treatment of disorders of the central nervous system LILLY INDUSTRIES LTD (GB) 1996-05-22 EP disclosed
US-5338735-A For treatment of central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1994-08-16 US disclosed
EP-0543584-A1 Benzo(b)thiophene-2-carboxamides for the treatment of disorders of the central nervous system LILLY INDUSTRIES LIMITED (GB) 1993-05-26 EP disclosed