SCHEMBL3174141

SCHEMBL3174141

Cc1cc(-c2ccccc2)ccc1CS

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.51
DCLRE1A Q6PJP8 1/20 0.51
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
BRD4 O60885 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17281581 0.80 SMN1; SMN2 (0.41) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL5263743 0.80 PDCD1 (0.48) DCLRE1BDCLRE1ALMNAHTTRAB9A
SCHEMBL31490983 0.80 ERBB2 (0.41) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL2571211 0.80 TAAR1 (0.48) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL11565504 0.80 SMN1; SMN2 (0.41) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL455471 0.78 MAPT (0.40) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL23403331 0.77 CYP1A2 (0.39) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL19193982 0.77 LMNA (0.39) LMNAHTTRAB9ASMN1; SMN2HSD17B1
SCHEMBL19200643 0.76 DCLRE1B (0.51) DCLRE1BDCLRE1ALMNAHTTKDM4E
SCHEMBL19199865 0.76 HSD17B10 (0.52) DCLRE1BDCLRE1ALMNAHTTKDM4E

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-1341534-B1 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2010-03-31 EP disclosed