SCHEMBL11537110

SCHEMBL11537110

O=[N+]([O-])c1ccc2[nH]cc(CCS)c2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.63
PKM P14618 1/20 0.60
PKLR P30613 1/20 0.60
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LTA4H P09960 1/20 0.50
PLA2G2A P14555 1/20 0.50
HTR2A P28223 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
FAAH O00519 1/20 0.47
CDK2 P24941 2/20 0.46
PTPRA P18433 1/20 0.45

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
SCHEMBL11538649 0.88 PKM (0.72) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL7008593 0.88 NQO2 (0.66) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL31573286 0.85 LTA4H (0.65) NQO2PKMPKLRMAPTLTA4H
SCHEMBL31098035 0.85 NQO2 (0.67) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL8629332 0.85 NQO2 (0.63) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL8629832 0.85 NQO2 (0.67) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL31098071 0.85 NQO2 (0.63) NQO2PKMPKLRMAPTSMN1; SMN2
SCHEMBL1520627 0.85 LTA4H (0.65) NQO2PKMPKLRMAPTLTA4H
SCHEMBL2535250 0.85 NQO2 (0.62) NQO2PKMPKLRHTR2AKMT2A
SCHEMBL27929617 0.84 NQO2 (0.61) NQO2PKMPKLRMAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4171443-A 10B-Azafluoranthene derivatives and precursors thereof AYERST, MCKENNA & HARRISON LIMITED (CA) 1979-10-16 US disclosed