SCHEMBL28032441

SCHEMBL28032441

COc1ccc(CNC(=O)c2ccc(CCO)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.53
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KLKB1 P03952 1/20 0.50
MAPT P10636 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49

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
SCHEMBL16135739 0.83 HPGD (0.56) HPGDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL4569297 0.80 HPGD (0.69) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13534577 0.79 EGLN1 (0.59) HPGDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL28042363 0.78 HPGD (0.63) HPGDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL28032381 0.78 HPGD (0.57) HPGDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL22647187 0.77 ALDH1A1 (0.55) HPGDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL31750072 0.76 HPGD (0.52) HPGDALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL31750086 0.76 HPGD (0.52) HPGDALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL14967252 0.76 CYP4A11 (0.55) HPGDALDH1A1NPC1L3MBTL1ATM
SCHEMBL9416606 0.76 NPC1 (0.82) HPGDALDH1A1RAB9ANPC1L3MBTL1

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
CN-104870435-A Aryl and heteroaryl fused lactams PFIZER 2015-08-26 CN disclosed