SCHEMBL2324504

SCHEMBL2324504

Cc1cc(CNC(=O)c2cccc3ccc(C(C)(C)C)nc23)c(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 2/20 0.39
CD38 P28907 1/20 0.39
HPGD P15428 3/20 0.37
EGLN1 Q9GZT9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
TP53 P04637 2/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DDR1 Q08345 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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) CD38HPGDNPC1KDM4EPOLB
SCHEMBL2333876 0.87 TRPV1 (0.45) HPGDNPC1MAPTTRPV1LMNA
SCHEMBL2328931 0.80 PIM1 (0.44) NPC1EPHX2NR1H4DDR1MEN1
SCHEMBL2329497 0.79 CYP1A2 (0.39) NPC1POLBALDH1A1LMNAMEN1
SCHEMBL2328729 0.79 CYP1A2 (0.39) NPC1POLBALDH1A1LMNAMEN1
SCHEMBL2108295 0.79 LMNA (0.44) MAPTTP53EPHX2NR1H4ALDH1A1
SCHEMBL2333581 0.78 HPGD (0.43) CD38HPGDKDM4EPLA2G1BPOLB
SCHEMBL2328736 0.76 TRPV1 (0.45) HPGDEGLN1NPC1TRPV1MEN1
SCHEMBL2110022 0.71 NPC1 (0.47) NPC1EPHX2NR1H4MEN1KMT2A
SCHEMBL1754354 0.71 MAPT (0.43) SMN1; SMN2MAPTTP53EPHX2NR1H4

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