SCHEMBL8480948

SCHEMBL8480948

Cc1ccc(C(C(=O)NCl)c2ccc(C(=O)C[N+](=O)[O-])cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
GSK3B P49841 1/20 0.37
HTT P42858 2/20 0.36
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
FAAH O00519 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8482948 0.89 HTT (0.37) L3MBTL1LMNAMAPTALDH1A1GAA
SCHEMBL8482590 0.89 ALDH1A1 (0.37) L3MBTL1POLBLMNAMAPTALDH1A1
SCHEMBL8481725 0.88 HDAC4 (0.46) L3MBTL1POLBCNR1CNR2KMT2A
SCHEMBL8481390 0.88 CNR1 (0.45) L3MBTL1POLBLMNAMAPTALDH1A1
SCHEMBL8478498 0.87 HDAC4 (0.45) L3MBTL1POLBLMNAMAPTCNR1
SCHEMBL8482561 0.87 MEN1 (0.47) LMNAMAPTALDH1A1GAACNR1
SCHEMBL8478024 0.86 ALDH1A1 (0.44) L3MBTL1LMNAALDH1A1GAACNR1
SCHEMBL8477772 0.85 HAO1 (0.38) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL8478094 0.84 ALDH1A1 (0.36) L3MBTL1POLBLMNAMAPTALDH1A1
SCHEMBL8479404 0.84 PTPN1 (0.45) CNR2GSK3B

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
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed