SCHEMBL8689607

SCHEMBL8689607

CCOC(=O)c1cc(C(=O)c2ccccc2Cl)c(NC(=O)CCl)s1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 7/20 0.51
LMNA P02545 5/20 0.51
HPGD P15428 5/20 0.51
NPSR1 Q6W5P4 5/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ACR P10323 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
THRB P10828 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
SCHEMBL8690167 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL9522428 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL9522459 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL9522255 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL10462493 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL9523579 0.76 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL9041851 0.76 MAPT (0.54) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL406428 0.72 TSHR (0.74) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL11493783 0.72 MAPK8 (0.53) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL11861209 0.72 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDNPSR1

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
US-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed