SCHEMBL8444384

SCHEMBL8444384

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
SLC22A12 Q96S37 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 2/20 0.38
NPC1 O15118 2/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ACACB O00763 1/20 0.36
NR1H2 P55055 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
DPP4 P27487 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7873726 0.84 NPC1 (0.41) KMT2ASLC22A12MEN1ALDH1A1SMN1; SMN2
SCHEMBL7868598 0.82 ALDH1A1 (0.44) KMT2ASLC22A12MEN1ALDH1A1SMN1; SMN2
SCHEMBL10921467 0.80 SSTR4 (0.43) KMT2ASMN1; SMN2EPHX2NPC1RAB9A
SCHEMBL18766090 0.78 KIF11 (0.47) KMT2AMEN1ALDH1A1EPHX2MAPT
SCHEMBL8445850 0.78 CES2 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL11360627 0.78 SLC22A12 (0.45) KMT2ASLC22A12MEN1ALDH1A1SMN1; SMN2
SCHEMBL15578056 0.75 EPHX2 (0.45) SLC22A12EPHX2
SCHEMBL8446830 0.75 NPC1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL15578171 0.74 ACACB (0.45) ALDH1A1SMN1; SMN2NPC1LMNAMAPT
SCHEMBL22772342 0.73 ESR1 (0.48) KMT2AMEN1ALDH1A1THRBLMNA

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 1 patent. 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