SCHEMBL9711535

SCHEMBL9711535

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
BCHE P06276 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
SCHEMBL9711469 0.87 RAB9A (0.43) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL9711574 0.81 KMT2A (0.41) KMT2AALDH1A1HTTNPC1RAB9A
SCHEMBL9711717 0.81 KMT2A (0.43) KMT2AALDH1A1LMNAPOLBHTT
SCHEMBL9711459 0.76 KMT2A (0.41) KMT2AALDH1A1LMNAPOLBHTT
SCHEMBL9711636 0.72 KMT2A (0.41) KMT2AALDH1A1HTT
SCHEMBL9711607 0.72 KMT2A (0.44) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31588107 0.70 KMT2A (0.71) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17673999 0.70 KMT2A (0.71) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9431223 0.67 KMT2A (0.46) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9126196 0.67 KMT2A (0.55) KMT2AALDH1A1LMNAPOLBHTT

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