SCHEMBL8445691

SCHEMBL8445691

C=CC(=O)NC(C)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.55
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PRCP P42785 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
FFAR2 O15552 1/20 0.44
GPR139 Q6DWJ6 1/20 0.43
GSTO1 P78417 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
BAK1 Q16611 1/20 0.41
GRIN2B Q13224 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10077808 0.84 GAA (0.54) GAAHPGDSMN1; SMN2ALDH1A1PRCP
SCHEMBL5406850 0.84 ACACB (0.56) ACACBHPGDCYP2C19TSHRALDH1A1
SCHEMBL27622736 0.84 ACACB (0.56) ACACBHPGDSMN1; SMN2CYP2C19TSHR
SCHEMBL30230775 0.84 ACACB (0.56) ACACBHPGDSMN1; SMN2CYP2C19TSHR
SCHEMBL27576007 0.83 GAA (0.53) GAAHPGDSMN1; SMN2ALDH1A1PRCP
SCHEMBL28207649 0.82 TDP1 (0.63) ACACBHPGDTSHRALDH1A1TDP1
SCHEMBL5527681 0.82 TDP1 (0.63) ACACBHPGDTSHRALDH1A1TDP1
SCHEMBL4415392 0.82 TDP1 (0.63) ACACBHPGDTSHRALDH1A1TDP1
SCHEMBL28624100 0.80 B3GNT2 (0.47) GAASMN1; SMN2ALDH1A1GPR139MEN1
SCHEMBL30230833 0.80 ACACB (0.63) ACACBGAAALDH1A1GSTO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 EP disclosed
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
CN-1096781-A The therapeutical agent that contains 1-(aralkyl-aminoalkyl) imidazolium compounds BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed