SCHEMBL8988646

SCHEMBL8988646

CCC(=O)c1ccc(Cl)c(CC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MAPT P10636 2/20 0.38
PGR P06401 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1246794 0.82 TSHR (0.53) ALDH1A1HTTMAPTRAB9ASMN1; SMN2
SCHEMBL194940 0.81 CA12 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL2192295 0.80 ALDH1A1 (0.50) ALDH1A1HPGDHTTATMMAPT
SCHEMBL18620833 0.78 VNN1 (0.44) ALDH1A1HPGDHTTATMHDAC3
SCHEMBL27802731 0.76 ALDH1A1 (0.43) ALDH1A1HPGDHTTATMHDAC3
SCHEMBL2127069 0.76 TSHR (0.57) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2278168 0.73 CYP3A4 (0.52) ALDH1A1HPGDHTTATMHDAC3
SCHEMBL17094759 0.71 ATM (0.45) ALDH1A1HPGDHTTATMHDAC3
SCHEMBL18538090 0.71 MAPT (0.54) ALDH1A1HPGDATMMAPTSMN1; SMN2
SCHEMBL10031580 0.71 KDM4E (0.54) ALDH1A1HPGDATMHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8217736-A None JP disclosed
JP-H08217736-A 2-HALOGENO-5-ACYLBENZYL CYANIDE AND ITS PRODUCTION SUMITOMO SEIKA CHEM CO LTD 1996-08-27 JP disclosed