SCHEMBL7833405

SCHEMBL7833405

NCc1nc(Cl)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.38
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AB1 P08238 2/20 0.32
NOTUM Q6P988 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PNMT P11086 1/20 0.31
HSP90AA1 P07900 1/20 0.30
S1PR2 O95136 1/20 0.30

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
SCHEMBL7834334 0.79 TAAR1 (0.37) LOXL2LOXLOXL3KMT2AKDM4E
SCHEMBL379234 0.77 HTT (0.34) KMT2AKDM4EHSP90AB1S1PR2
SCHEMBL15719514 0.75 CASP1 (0.36) PNMT
SCHEMBL26598667 0.74
SCHEMBL1316695 0.72 MAPT (0.50) S1PR2
SCHEMBL15081400 0.72 ADORA2A (0.30) S1PR2
SCHEMBL1319508 0.72 KMT2A (0.38) KMT2AKDM4ECYP2C19S1PR2
SCHEMBL855313 0.72 LOXL2 (0.54) LOXL2LOXLOXL3KMT2AKDM4E
SCHEMBL21434181 0.72 RECQL (0.38) NOTUMCYP2D6CYP2C19S1PR2
SCHEMBL6033853 0.72 S1PR2 (0.30) S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1086578-C Sulfonamides and their use HOFFMANN LA ROCHE (CH) 2002-06-26 CN disclosed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
CN-1170574-A Sulfonamides and their use HOFFMANN LA ROCHE (CH) 1998-01-21 CN disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed