SCHEMBL9711575

SCHEMBL9711575

CN1C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPD P32754 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 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
SCHEMBL9711475 0.89 TRPV1 (0.42) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711499 0.87 KMT2A (0.40) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL9711484 0.86 MAPT (0.40) HPGDCYP2C19CYP1A2CYP3A4SMN1; SMN2
SCHEMBL9711515 0.85 MAPT (0.41) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711481 0.83 SMN1; SMN2 (0.41) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711617 0.82 HPGD (0.47) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL8980327 0.78 CYP2C19 (0.40) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711611 0.78 HPD (0.49) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711555 0.78 HPGD (0.43) NPC1RAB9AHPGDCYP2C19CYP1A2
SCHEMBL9711509 0.78 HPGD (0.43) NPC1RAB9AHPGDCYP2C19CYP1A2

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed