SCHEMBL7995

SCHEMBL7995

N#CCc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
SLC2A1 P11166 7/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
TSPO P30536 2/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
ALB P02768 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA1 P30542 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIRT5 Q9NXA8 1/20 0.49

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
SCHEMBL1431867 0.86 ALDH1A1 (0.63) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL1430434 0.83 KDM4E (0.64) SLC2A1KDM4EHTTGABRB2
Hydrochloric Acid SCHEMBL1429987 0.81 ALDH1A1 (0.68) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL1691241 0.81 ALDH1A1 (0.68) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL2775807 0.80 GABRA1 (0.57) ALDH1A1SLC2A1KDM4EHTTGABRA2
SCHEMBL11016012 0.79 GAA (0.52) ALDH1A1SLC2A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL1430569 0.79 ALDH1A1 (0.54) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL11013527 0.78 GAA (0.51) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL13368336 0.77 ALDH1A1 (0.63) ALDH1A1SLC2A1MEN1KMT2AKDM4E
SCHEMBL2195258 0.77 SLC2A1 (0.66) ALDH1A1SLC2A1MEN1KMT2AKDM4E

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
US-4460592-A HYPNOTIC SYNTHELABO 1984-07-17 US disclosed
US-4382938-A HYPNOSIS; TENSION; ANTICONVULSANTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1983-05-10 US disclosed