SCHEMBL11301604

SCHEMBL11301604

O=C(OCC#CI)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
HGFAC Q04756 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM5 P41594 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.40
HTR2A P28223 1/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11301568 0.83 HTR2A (0.52) ALDH1A1LMNACES2CES1MAPT
SCHEMBL11302977 0.82 RAB9A (0.49) F2ALDH1A1LMNATSHRMAPT
SCHEMBL2955782 0.81 F2 (0.63) F2HGFACALDH1A1CHRNB2CHRNA4
SCHEMBL11308849 0.80 TP53 (0.55) ALDH1A1CHRNB2CHRNA4LMNATSHR
SCHEMBL11310846 0.80 MEN1 (0.42) ALDH1A1LMNATSHRMAPTTP53
SCHEMBL11310866 0.78 BLM (0.43) ALDH1A1LMNATSHRTP53
SCHEMBL11309769 0.78 ALDH1A1 (0.45) ALDH1A1LMNATSHRMAPTMAOB
SCHEMBL11310569 0.78 LMNA (0.45) ALDH1A1LMNATSHRCES2CES1
SCHEMBL11301612 0.78 ESR1 (0.41) ALDH1A1LMNACES2CES1MAOB
SCHEMBL11303983 0.78 LMNA (0.53) ALDH1A1LMNAMAPTALOX5

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-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed