SCHEMBL7198527

SCHEMBL7198527

Cc1ccc(C(C#N)C(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
LMNA P02545 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALPG P10696 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5505530 0.88 L3MBTL1 (0.61) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL7197465 0.85 LMNA (0.42) TDP1CES2CES1LMNASMN1; SMN2
SCHEMBL7202862 0.84 L3MBTL1 (0.55) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL7199609 0.83 LMNA (0.60) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL7198885 0.83 CES2 (0.47) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL11812978 0.83 LMNA (0.47) TDP1CES2CES1LMNASMN1; SMN2
SCHEMBL6289187 0.80 ALDH1A1 (0.46) TDP1CES2CES1LMNASMN1; SMN2
SCHEMBL16781997 0.80 L3MBTL1 (0.73) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL14519387 0.80 L3MBTL1 (0.49) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL7200938 0.79 TDP1 (0.50) TDP1L3MBTL1CES2CES1LMNA

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
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed