SCHEMBL7734175

SCHEMBL7734175

CC(=O)Nc1nc2ccc(CCBr)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.67
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.65
FSCN1 Q16658 1/20 0.61
PDPK1 O15530 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
PIK3CG P48736 2/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
STAT1 P42224 1/20 0.56
ADORA1 P30542 1/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL242000 0.85 DYRK1A (0.72) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL6218888 0.82 DYRK1A (0.60) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL13486431 0.82 DYRK1A (0.67) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL2175580 0.80 DYRK1A (1.00) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL715950 0.79 DYRK1A (1.00) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL7733047 0.79 DYRK1A (0.70) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL10170616 0.77 DYRK1A (1.00) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL4501407 0.76 DYRK1A (0.71) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL8085535 0.76 DYRK1A (0.71) DYRK1ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL11279344 0.76 DYRK1A (1.00) DYRK1ARAB9ANPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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