SCHEMBL11477397

SCHEMBL11477397

COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CCC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
TGFBR1 P36897 4/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
WDR5 P61964 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
PDE10A Q9Y233 1/20 0.48
TGFBR2 P37173 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL15452608 0.95 TGFBR1 (0.72) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL7381132 0.93 TGFBR1 (0.67) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL9196852 0.90 ATM (0.67) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL9436323 0.90 TGFBR1 (0.63) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL9701303 0.86 TGFBR1 (0.62) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL11475818 0.86 WDR5 (0.56) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL17767606 0.85 TGFBR1 (0.61) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL27309763 0.85 ATM (0.61) ATMTGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL11482604 0.85 MAPT (0.59) ATMTGFBR1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11490578 0.85 WDR5 (0.55) ATMTGFBR1NPC1RAB9ASMN1; 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-4186205-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1980-01-29 US disclosed