SCHEMBL4756971

SCHEMBL4756971

COC(=O)c1cc(Cl)cc(-n2cc(C)nc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL4757757 0.85 GPR119 (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL4757752 0.84 TPMT (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4756946 0.82 GPR35 (0.42) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL588343 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL67540 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4755015 0.70 KAT6A (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30661671 0.70 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30570165 0.70 CNR2 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8979351 0.70 CNR2 (0.56) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7827674 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT

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
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed