SCHEMBL9711544

SCHEMBL9711544

O=C1CC(c2cccc(Cl)c2)NC(=O)C1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 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
SCHEMBL9711509 0.93 HPGD (0.43) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711558 0.88 HPD (0.41) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711666 0.87 HPGD (0.45) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711701 0.84 ALDH1A1 (0.43) SMN1; SMN2CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL9711519 0.84 TRPV1 (0.42) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711571 0.84 FLT1 (0.41) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711468 0.84 SMN1; SMN2 (0.38) HPDSMN1; SMN2HPGDRAB9AALDH1A1
SCHEMBL9711462 0.84 SMN1; SMN2 (0.38) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711567 0.83 PDE7A (0.39) HPDSMN1; SMN2CYP1A2CYP3A4HPGD
SCHEMBL9711492 0.82 HPD (0.43) HPDSMN1; SMN2CYP1A2CYP3A4HPGD

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