SCHEMBL11209504

SCHEMBL11209504

O=C=Nc1ccc(Oc2ccc3ccccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALOX5 P09917 1/20 0.44
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 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
SCHEMBL15704572 0.86 MAPK1 (0.44) MAOAMAOBALOX5CYP1A2LMNA
SCHEMBL7136291 0.84 FURIN (0.53) MAOBCYP1A2LMNAMAPTALDH1A1
SCHEMBL242048 0.83 LTA4H (0.50) MAOACYP3A4TSHRCA1CA2
SCHEMBL4551613 0.83 CYP3A4 (0.54) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL50333 0.83 CYP3A4 (0.54) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL4544188 0.83 CYP3A4 (0.54) CYP1A2MAPTALDH1A1MEN1KMT2A
SCHEMBL31682271 0.81 MEN1 (0.52) CYP1A2ALDH1A1GAAMEN1KMT2A
SCHEMBL407338 0.81 MEN1 (0.52) CYP1A2ALDH1A1GAAMEN1KMT2A
SCHEMBL1861293 0.81 FURIN (0.46) MAOBCYP1A2MAPTALDH1A1GAA
SCHEMBL11214951 0.81 MAPK1 (0.49) MAOAMAOBALOX5CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54117445-A None JP disclosed
US-4399072-A HERBICIDE, FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed
US-4280835-A Herbicidal N-phenyl-N-methylurea derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-07-28 US disclosed
JP-S54117445-A SUBSTITUTED PHENYLUREA DERIVATIVE, ITS PREPARATION, AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEM CO LTD 1979-09-12 JP disclosed