SCHEMBL7723256

SCHEMBL7723256

Nc1nc2ccc(C(=O)C(CNC(=O)c3ccccc3)N3CCC(Cc4ccccc4)CC3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2D6 P10635 2/20 0.54
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7731064 0.87 ALDH1A1 (0.47) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7736141 0.86 ALDH1A1 (0.46) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7736257 0.85 ALDH1A1 (0.52) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7734109 0.85 GRIN2B (0.54) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7733096 0.84 ALDH1A1 (0.49) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7732339 0.84 CYP2C9 (0.49) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL7732672 0.77 ACHE (0.64) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL8124947 0.76 CYP2C9 (0.49) CYP2C9CYP2C19CYP2D6MAPK1ALDH1A1
SCHEMBL4577504 0.73 GRIN1 (0.65) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL7734202 0.72 CYP2D6 (0.52) CYP2C9CYP2C19CYP2D6ALDH1A1KDM4E

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
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP claimed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO claimed
US-6407122-B1 NEUROPROTECTIVE AGENTS, ANTIISCHEMIC, AND HYPERGLYCEMIC AGENTS; HUNTINGTON*S, PARKINSON*S, AND ALZHEIMER*S DISEASE;AMYOTROPHIC LATERAL SCLEROSIS TREATMENT; NERVOUS SYSTEM AND BRAIN DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2002-06-18 US disclosed
EP-1037890-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-09-27 EP disclosed
WO-1999028318-A1 AMINO-BENZOTHIAZOLE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-06-10 WO disclosed