SCHEMBL5841529

SCHEMBL5841529

Cc1c(N)cc2ccccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2A6 P11509 1/20 0.41
GLO1 Q04760 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
BACE1 P56817 1/20 0.37
NCF1 P14598 1/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.36
HPGD P15428 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
SCHEMBL5842138 0.83 ERN1 (0.48) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1055398 0.81 CYP1A2 (0.48) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL26693033 0.81 ERN1 (0.47) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4775285 0.79 ERN1 (0.44) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5843386 0.79 ERN1 (0.58) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5843734 0.78 CYP1A2 (0.45) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5841801 0.78 L3MBTL1 (0.42) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4927955 0.77 TSHR (0.46) CYP1A2CYP2A6GAAL3MBTL1TDP1
SCHEMBL29388184 0.76 ERN1 (0.57) ERN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL342278 0.76 ERN1 (0.57) ERN1CYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed
US-6589938-B2 Cardiovascular disorders NATIONAL UNIVERSITY OF SINGAPORE (SG) 2003-07-08 US disclosed
EP-0029996-B1 N-SUBSTITUTED 2-METHYLNAPHTHYL AMIDES, PROCESS FOR THEIR MANUFACTURE AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-02-16 EP disclosed
EP-0029996-A1 N-substituted 2-methylnaphthyl amides, process for their manufacture and fungicides containing them BASF Aktiengesellschaft (DE) 1981-06-10 EP disclosed