SCHEMBL9711567

SCHEMBL9711567

O=C1CC(c2ccccc2Br)NC(=O)C1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.39
PDE7B Q9NP56 2/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HPD P32754 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 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 0.86 HPGD (0.43) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711544 0.83 HPD (0.40) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711666 0.80 HPGD (0.45) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711558 0.80 HPD (0.41) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711492 0.79 HPD (0.43) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711526 0.78 SMN1; SMN2 (0.41) HPGDCYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL9711571 0.78 FLT1 (0.41) HPGDCYP1A2CYP3A4CYP2C19HPD
SCHEMBL9711519 0.78 TRPV1 (0.42) HPGDCYP1A2CYP3A4CYP2C19HPD
SCHEMBL9711468 0.78 SMN1; SMN2 (0.38) HPGDRAB9AHPDSMN1; SMN2ALDH1A1
SCHEMBL9711609 0.78 HPD (0.40) HPDALDH1A1LMNA

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