SCHEMBL11565504

SCHEMBL11565504

Cc1cc(-c2ccccc2)ccc1CCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ESR2 Q92731 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
CYP1A2 P05177 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
RXRG P48443 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
SCHEMBL2139060 0.84 HPGD (0.42) MAPTKDM4EGAAHPGDTNKS2
SCHEMBL27767819 0.81 DCLRE1A (0.43) SMN1; SMN2LMNAHTTRAB9AMAPT
SCHEMBL21753292 0.81 QDPR (0.41) SMN1; SMN2LMNARAB9AMAPT
SCHEMBL31490983 0.80 ERBB2 (0.41) SMN1; SMN2LMNAHTTRAB9AHSD17B1
SCHEMBL17281581 0.80 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTRAB9AHSD17B1
SCHEMBL3174141 0.80 DCLRE1B (0.51) SMN1; SMN2LMNAHTTRAB9AHSD17B1
SCHEMBL5263743 0.80 PDCD1 (0.48) SMN1; SMN2LMNAHTTRAB9AHSD17B1
SCHEMBL2571211 0.80 TAAR1 (0.48) SMN1; SMN2LMNAHTTRAB9AHSD17B1
SCHEMBL21770153 0.79 MKNK1 (0.52) CYP1A2
SCHEMBL455471 0.78 MAPT (0.40) SMN1; SMN2LMNAHTTRAB9AHSD17B1

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-4180670-A Amino pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-12-25 US disclosed