SCHEMBL8043994

SCHEMBL8043994

c1ccc(CCn2c(Sc3nc4ccccc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 6/20 0.53
USP2 O75604 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.47
TSHR P16473 7/20 0.46
LMNA P02545 6/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
GALR3 O60755 1/20 0.44
ESR2 Q92731 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
CPB1 P15086 1/20 0.42

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
SCHEMBL8048043 0.86 CPB1 (0.43) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8048024 0.85 TSHR (0.43) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8050255 0.85 MAPT (0.46) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8046372 0.85 RAB9A (0.41) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8042595 0.83 RAB9A (0.47) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8043400 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8047245 0.83 KDM4E (0.54) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8047161 0.82 ALDH1A1 (0.69) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8041907 0.82 RAB9A (0.47) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2
SCHEMBL8033238 0.82 RAB9A (0.52) ALDH1A1HSD17B10USP2RAB9ASMN1; SMN2

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed