SCHEMBL8043765

SCHEMBL8043765

O=C(O)Cc1csc(Sc2nnnn2Cc2cccs2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 7/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8032934 0.86 ALDH1A1 (0.50) ALDH1A1GAARAB9ASMN1; SMN2TSHR
SCHEMBL8051292 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8051238 0.82 HSD17B10 (0.42) ALDH1A1GAARAB9ASMN1; SMN2NPC1
SCHEMBL8042994 0.81 GABRA5 (0.41) L3MBTL1CYP2C19ALDH1A1GAARAB9A
SCHEMBL8032682 0.80 TSHR (0.45) L3MBTL1ALOX15ALDH1A1GAARAB9A
SCHEMBL8044409 0.80 ALDH1A1 (0.40) L3MBTL1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL8050306 0.79 LMNA (0.41) L3MBTL1ALOX15CYP1A2CYP3A4CYP2D6
SCHEMBL8044541 0.79 ALOX15 (0.41) ALOX15ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL8051833 0.79 POLB (0.54) ALDH1A1SMN1; SMN2TSHRKDM4EHTT
SCHEMBL8044066 0.77 HTT (0.45) ALOX15CYP1A2CYP3A4CYP2D6CYP2C19

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