SCHEMBL9680872

SCHEMBL9680872

CSc1ccc2c(c1)C(=O)NC2=N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.45
MAOB P27338 11/20 0.45
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPOX P50336 1/20 0.36
WEE1 P30291 1/20 0.36
GSK3B P49841 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
SCHEMBL11725001 0.85 MAOA (0.59) MAOAMAOBPTGS2PPOXGSK3B
SCHEMBL23945629 0.76 MAOA (0.50) MAOAMAOBPTGS2PPOX
SCHEMBL11669965 0.76 ROS1 (0.49) MAOAMAOBALDH1A1GAAMAPT
SCHEMBL12219880 0.73 HPGD (0.47) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL8726573 0.72 PPOX (0.70) MAOAMAOBKDM4EMAPTPPOX
SCHEMBL11669501 0.71 ALDH1A1 (0.53) MAOAMAOBALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL2098566 0.70 TDP2 (0.47) MAOAMAOBPPOX
SCHEMBL11685503 0.70 PTGS2 (0.39) PTGS2PPOXWEE1
SCHEMBL29036115 0.70 MCL1 (0.46) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL84289 0.69 PTGS2 (0.47) MAOAMAOBPTGS2KDM4EALDH1A1

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
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-5106814-A Containing aromatic isocyanate, imino compound, trialkoxy benzoate; image stability, responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1992-04-21 US disclosed
US-4065462-A ORGANIC PIGMENTS CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-4016157-A COLORING PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1977-04-05 US disclosed