SCHEMBL9711469

SCHEMBL9711469

O=C1C=C(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC(c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
JMJD7 P0C870 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL9711535 0.87 KMT2A (0.43) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL9711509 0.76 HPGD (0.43) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9711717 0.74 KMT2A (0.43) HPGDCYP1A2CYP2C19MAPTLMNA
SCHEMBL10384186 0.71 KMT2A (0.44) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9711574 0.70 KMT2A (0.41) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL9711701 0.69 ALDH1A1 (0.43) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9711617 0.69 HPGD (0.47) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9872300 0.69 MAPT (0.45) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9711544 0.69 HPD (0.40) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL8698410 0.68 HPGD (0.43) RAB9ANPC1HPGDCYP1A2CYP3A4

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