SCHEMBL10371606

SCHEMBL10371606

Clc1ccc2c(c1)C(c1ccccc1Cl)Nc1cccnc1N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
SLC8B1 Q6J4K2 1/20 0.44
DRD4 P21917 8/20 0.42
DRD2 P14416 7/20 0.42
IDH1 O75874 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL28355878 0.76 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL5177430 0.76 MAPT (0.50) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL13981274 0.67 TSHR (0.52) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL28128051 0.66 GSK3B (0.48) MAPTCYP1A2IDH1GSK3BGAA
SCHEMBL10391214 0.65 CYP1A2 (0.56) MAPTCYP1A2CYP2C9CYP2C19DRD4
SCHEMBL18173668 0.65 SMN1; SMN2 (0.44) MAPTCYP1A2IDH1GSK3BGAA
SCHEMBL5435436 0.64 MAPT (0.56) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL7476995 0.63 SMN1; SMN2 (0.55) MAPTCYP1A2CYP2C9CYP2C19DRD4
SCHEMBL7102226 0.63
SCHEMBL5696272 0.63 CHRM1 (0.42) MAPTTP53CYP1A2CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP claimed
EP-0076017-B1 PHENYL SUBSTITUTED PYRIDO(1,4)BENZODIAZEPINES AND INTERMEDIATES THEREFOR A.H. ROBINS COMPANY, INCORPORATED (US) 1990-08-16 EP disclosed
US-4668675-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-05-26 US disclosed
US-4556667-A (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-03 US disclosed
US-4495183-A ANTIULCER AGENTS- GASTROLINTESTINAL DISORDERS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-01-22 US disclosed
US-4447361-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1984-05-08 US disclosed
EP-0076017-A2 Phenyl substituted pyrido(1,4)benzodiazepines and intermediates therefor A.H. ROBINS COMPANY, INCORPORATED (US) 1983-04-06 EP disclosed