SCHEMBL10647409

SCHEMBL10647409

Cc1cc(C)nc(Sc2ccc(S)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
MAPT P10636 4/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL10560991 0.81 TSHR (0.54) POLBAPOBEC3GLMNATSHRHTT
SCHEMBL10517955 0.81 HTT (0.56) POLBAPOBEC3GLMNATSHRHTT
SCHEMBL24022690 0.79 KDM4E (0.40) LMNATSHRHTTSMN1; SMN2MAPT
SCHEMBL5647444 0.79 NR1H2 (0.52) POLBAPOBEC3GLMNATSHRHTT
SCHEMBL1814417 0.78 POLB (0.46) POLBAPOBEC3GLMNATSHRHTT
SCHEMBL10514565 0.75 HTT (0.49) POLBAPOBEC3GLMNATSHRHTT
SCHEMBL24348447 0.75 KDM4E (0.37) LMNAMAPTALDH1A1
SCHEMBL10516389 0.73 HPGD (0.62) POLBAPOBEC3GLMNACA12CA1
SCHEMBL10522322 0.72 MAPT (0.66) LMNAHTTSMN1; SMN2MAPTKMT2A
SCHEMBL179817 0.71 NR1H2 (0.47) LMNATSHRMAPTKMT2AALDH1A1

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-0273242-A2 2-Pyri(mi)dylthio-aryl ether BAYER AG (DE) 1988-07-06 EP disclosed