SCHEMBL7879580

SCHEMBL7879580

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
TGM2 P21980 1/20 0.40
B3GNT2 Q9NY97 1/20 0.39
CYP1A2 P05177 1/20 0.39
GSTO1 P78417 1/20 0.38
SSTR4 P31391 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TEAD1 P28347 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22676053 0.83 TGM2 (0.51) CYP2C19ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL5396951 0.82 ALDH1A1 (0.58) CYP2C19ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL18740446 0.78 POLB (0.50) POLBCYP2C19CYP3A4CYP2C9MEN1
SCHEMBL8390808 0.78 POLB (0.50) POLBCYP2C19MEN1KMT2ANPC1
SCHEMBL11136765 0.77 POLB (0.49) POLBCYP2C19ALDH1A1CYP2C9MEN1
SCHEMBL12666574 0.77 POLB (0.49) POLBCYP2C19MEN1KMT2ANPC1
SCHEMBL20763475 0.76 ALDH1A1 (0.39) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL5050861 0.76 CYP3A4 (0.43) POLBCYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL7873834 0.76 CYP3A4 (0.72) CYP2C19ALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL7868598 0.75 ALDH1A1 (0.44) POLBCYP2C19ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
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
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US 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
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO 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