SCHEMBL10481663

SCHEMBL10481663

O=C1CC(=Nc2ccccc2)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
CES1 P23141 2/20 0.47
IDO1 P14902 3/20 0.42
LRRK2 Q5S007 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CDC25B P30305 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAOA P21397 2/20 0.38
KDM4E B2RXH2 2/20 0.38
APAF1 O14727 2/20 0.38
TDP2 O95551 2/20 0.38
S100A4 P26447 2/20 0.38
CES2 O00748 1/20 0.38
TERT O14746 1/20 0.38

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
SCHEMBL27597926 0.85 ALDH1A1 (0.41) BCHECES1IDO1LRRK2MEN1
SCHEMBL8773373 0.82 FURIN (0.43) IDO1LRRK2MEN1KMT2AMAPT
SCHEMBL8773370 0.82 FURIN (0.43) IDO1LRRK2MEN1KMT2AMAPT
SCHEMBL9770212 0.79 MEN1 (0.54) BCHECES1LRRK2MEN1KMT2A
SCHEMBL1670775 0.71 CES1 (0.62) BCHECES1IDO1MEN1KMT2A
SCHEMBL4726618 0.70 ALDH1A1 (0.62) BCHECES1IDO1LRRK2MEN1
SCHEMBL34461896 0.70 ALDH1A1 (0.62) BCHECES1IDO1LRRK2MEN1
SCHEMBL9491479 0.69 LRRK2 (0.48) LRRK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11293121 0.69 CES1 (0.60) BCHECES1IDO1MEN1KMT2A
SCHEMBL11287850 0.69 CES1 (0.60) BCHECES1IDO1MEN1KMT2A

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-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed