SCHEMBL7952748

SCHEMBL7952748

COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 8/20 0.44
TSHR P16473 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 3/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
CETP P11597 1/20 0.42

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
SCHEMBL7957493 0.91 POLB (0.53) ALDH1A1MAPTTSHRNPSR1KMT2A
SCHEMBL7950910 0.91 TP53 (0.44) ALDH1A1ACHEMAPTTSHRNPSR1
SCHEMBL5755654 0.90 ALDH1A1 (0.51) ALDH1A1ACHEMAPTTSHRPOLB
SCHEMBL7944633 0.84 TP53 (0.44) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL7956984 0.83 TP53 (0.41) ALDH1A1MAPTTSHRNPSR1KMT2A
SCHEMBL5755361 0.83 ACHE (0.58) ALDH1A1ACHEMAPTTSHRNPSR1
SCHEMBL7952239 0.83 TP53 (0.41) ALDH1A1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL5754016 0.81 ALDH1A1 (0.45) ALDH1A1ACHEMAPTTSHRNPSR1
SCHEMBL5802067 0.78 POLB (0.45) ALDH1A1ACHEMAPTTSHRNPSR1
SCHEMBL5755628 0.75 ABHD6 (0.41) ACHEMAPTNPSR1KMT2ASMN1; SMN2

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-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed