SCHEMBL9388384

SCHEMBL9388384

CN(C)C=Nc1sccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 10/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
ALOX15 P16050 3/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CASP7 P55210 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL10915165 0.71 PARP1 (0.37) HSD17B10ALDH1A1KDM4EALOX15RAB9A
SCHEMBL17200805 0.71 ALDH1A1 (0.44) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL29987355 0.69 ALDH1A1 (0.50) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL14514562 0.69 ALDH1A1 (0.50) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL29986929 0.69 ALDH1A1 (0.50) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL224874 0.69 ALDH1A1 (0.56) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL224875 0.69 ALDH1A1 (0.56) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL10704182 0.68 MEN1 (0.35) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL9487242 0.68 ALDH1A1 (0.44) GAAHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL9487237 0.68 ALDH1A1 (0.44) GAAHSD17B10ALDH1A1MAPTKDM4E

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-6025220-A None JP disclosed
JP-H0625220-A NEW THIOPHENE DERIVATIVE AND PRODUCTION OF 2-AMINO-3-CYANO-5-NITROTHIOPHENE USING THE SAME MITSUBISHI KASEI HOECHST KK 1994-02-01 JP disclosed