SCHEMBL9711571

SCHEMBL9711571

CS(=O)(=O)c1ccc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KDR P35968 2/20 0.41
HPD P32754 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 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
SCHEMBL9711666 0.89 HPGD (0.45) FLT1FLT4KDRHPDSMN1; SMN2
SCHEMBL9711509 0.87 HPGD (0.43) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711519 0.87 TRPV1 (0.42) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711468 0.87 SMN1; SMN2 (0.38) HPDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9711462 0.86 SMN1; SMN2 (0.38) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711558 0.85 HPD (0.41) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711544 0.84 HPD (0.40) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711492 0.81 HPD (0.43) FLT1FLT4KDRHPDALDH1A1
SCHEMBL9711701 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL9711526 0.79 SMN1; SMN2 (0.41) FLT1FLT4KDRHPDALDH1A1

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