SCHEMBL7496103

SCHEMBL7496103

CCOC(=S)C(C#N)=C(C)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 4/20 0.47
PPID Q08752 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 3/20 0.42
GAA P10253 3/20 0.42
ALPL P05186 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL7491261 0.84 ALDH1A1 (0.56) ALDH1A1HPGDPPIDMEN1KMT2A
SCHEMBL7493239 0.81 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5238428 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5238435 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5238423 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4118522 0.77 MEN1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11418204 0.76 TSHR (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL11545213 0.74 PLA2G1B (0.49) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL7496099 0.73 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL7496095 0.73 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed