SCHEMBL10085616

SCHEMBL10085616

O=Cc1cccc2oc(CCc3ccc(Cl)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 4/20 0.38
F2 P00734 1/20 0.38
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRK6 P43250 1/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL12900304 0.78 MAPT (0.44) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL28777044 0.76 RAB9A (0.43) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL4583536 0.75 HTR3A (0.44) SMN1; SMN2ALDH1A1LMNAKDM4EHSD17B10
SCHEMBL12900291 0.74 TOP2A (0.47) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL12900251 0.70 MAPT (0.48) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL12932024 0.68 LMNA (0.45) MAPTSMN1; SMN2TP53ALDH1A1LMNA
SCHEMBL6297297 0.67 ELANE (0.45) MAPTALDH1A1LMNAKDM4E
SCHEMBL12252221 0.65 DHFR (0.52) MAPTSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL1271524 0.65 SMN1; SMN2 (0.49) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL7302599 0.64 TOP2A (0.47) MAPTSMN1; SMN2TP53NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
EP-2172447-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed