SCHEMBL20436331

SCHEMBL20436331

Cc1ccc2c(c1)/C(=N\O)C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
ROS1 P08922 1/20 0.56
CDK5 Q00535 1/20 0.56
ACVR1 Q04771 1/20 0.56
LRRK2 Q5S007 1/20 0.56
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
AGTR1 P30556 1/20 0.52
CA9 Q16790 3/20 0.51
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CSNK1G1 Q9HCP0 1/20 0.49
CA12 O43570 2/20 0.47
MAP3K7 O43318 1/20 0.47
TAB1 Q15750 1/20 0.47
RET P07949 2/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL6325239 1.00 MAPT (0.60) MAPTLMNAROS1CDK5ACVR1
SCHEMBL6325243 1.00 MAPT (0.60) MAPTLMNAROS1CDK5ACVR1
SCHEMBL20436333 0.83 CA1 (0.62) MAPTLMNAROS1CDK5ACVR1
SCHEMBL5739473 0.83 CA1 (0.62) MAPTLMNAROS1CDK5ACVR1
SCHEMBL30813240 0.79 LRRK2 (0.60) LRRK2CA1CA2AGTR1CA9
SCHEMBL6322987 0.79 TGM2 (0.61) MAPTLRRK2CA1CA2AGTR1
SCHEMBL7220775 0.79 SMN1; SMN2 (0.40) MAPTLMNALRRK2CA1CA2
SCHEMBL6315587 0.79 TGM2 (0.61) MAPTLRRK2CA1CA2AGTR1
SCHEMBL16168103 0.79 MAP3K7 (0.46) MAPTLMNAROS1CDK5ACVR1
SCHEMBL23612445 0.79 HPGD (0.46) MAPTLMNALRRK2AGTR1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed