SCHEMBL2333581

SCHEMBL2333581

COc1cc(F)c(CNC(=O)c2cccc3ccc(C(C)(C)C)nc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KMT2A Q03164 2/20 0.41
PDE10A Q9Y233 1/20 0.39
CHRM4 P08173 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CD38 P28907 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RCE1 Q9Y256 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
MEN1 O00255 1/20 0.38
ADORA2A P29274 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE11A Q9HCR9 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
SCHEMBL2330315 0.89 HPGD (0.44) HPGDKMT2ATP53GLACD38
SCHEMBL2333574 0.81 MAPT (0.43) TP53ROCK2ROCK1
SCHEMBL2333876 0.80 TRPV1 (0.45) HPGDKMT2A
SCHEMBL2328736 0.80 TRPV1 (0.45) HPGDKMT2ARXFP1MEN1
SCHEMBL2324504 0.78 MT-CO2 (0.39) HPGDKMT2ATP53CD38PLA2G1B
SCHEMBL2332116 0.73 MEN1 (0.43) HPGDKMT2ATP53KDM4EALDH1A1
SCHEMBL2329485 0.73 MEN1 (0.43) HPGDKMT2ATP53KDM4EALDH1A1
SCHEMBL1754354 0.71 MAPT (0.43) TP53ROCK2ROCK1
SCHEMBL2330077 0.68 SMN1; SMN2 (0.47) HPGDKMT2AKDM4EALDH1A1MEN1
SCHEMBL1754182 0.67 EPHX2 (0.47) KMT2ATP53ALDH1A1MEN1ROCK2

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-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP claimed