SCHEMBL9711574

SCHEMBL9711574

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSD P07339 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 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 0.81 KMT2A (0.43) KMT2AALDH1A1NPC1RAB9AHTT
SCHEMBL9711636 0.74 KMT2A (0.41) KMT2AALDH1A1CTSDMEN1HTT
SCHEMBL9711469 0.70 RAB9A (0.43) KMT2AALDH1A1NPC1RAB9AMEN1
SCHEMBL975117 0.69 ALDH1A1 (0.68) KMT2AALDH1A1NPC1RAB9ACTSD
SCHEMBL6608616 0.67 LDHA (0.46) KMT2AALDH1A1MEN1LDHALDHB
SCHEMBL411359 0.67 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ACTSDHTT
SCHEMBL27637513 0.67 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ACTSDHTT
Water SCHEMBL4951772 0.65 ALDH1A1 (0.58) KMT2AALDH1A1NPC1RAB9ACTSD
SCHEMBL5705801 0.65 TSHR (0.59) KMT2AALDH1A1NPC1RAB9ACTSD
SCHEMBL28783981 0.65 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACTSDHTT

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