SCHEMBL7868598

SCHEMBL7868598

C=CC(=O)NC(C)(C)c1ccc(CC#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 3/20 0.35
TGM2 P21980 3/20 0.35
THRA P10827 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
TEAD1 P28347 2/20 0.33

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
SCHEMBL8444384 0.82 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1THRB
SCHEMBL7873726 0.79 NPC1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1THRB
SCHEMBL22676053 0.75 TGM2 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL7879580 0.75 POLB (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5396951 0.75 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8446167 0.72 ACACB (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7879563 0.70 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL11360627 0.70 SLC22A12 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1THRB
SCHEMBL20763475 0.70 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL20763059 0.69 MAPT (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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
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-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