SCHEMBL9522330

SCHEMBL9522330

CCCCCCCCCCc1cc(C(=O)c2ccccc2C)c(NC(=O)CCl)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
ALDH1A1 P00352 9/20 0.54
LMNA P02545 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 4/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 4/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
USP2 O75604 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 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
SCHEMBL9525252 1.00 MAPT (0.54) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9523579 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9522428 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9522459 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL10462493 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9522255 0.89 ALDH1A1 (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9522489 0.89 THRB (0.41) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9523479 0.89 THRB (0.41) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9523577 0.86 LMNA (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD
SCHEMBL9523458 0.86 LMNA (0.51) MAPTALDH1A1LMNAL3MBTL1HPGD

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-0315698-B1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-4960770-A Vasodilating agents, cardiovascular disorder YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-02 US disclosed
EP-0315698-A1 THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-05-17 EP disclosed