SCHEMBL9713787

SCHEMBL9713787

CCCC1=C(Sc2ccccc2)C(=O)c2ccc(SC)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.45
MCL1 Q07820 4/20 0.45
HKDC1 Q2TB90 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDC25A P30304 5/20 0.39
CDC25B P30305 5/20 0.39
PTPN1 P18031 3/20 0.39
MAP2K7 O14733 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
S100A4 P26447 3/20 0.36
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17242653 0.78 HKDC1 (0.49) HKDC1MAPTL3MBTL1MEN1KMT2A
SCHEMBL9713458 0.77 HSD17B10 (0.36) BCL2MCL1HKDC1MAPTL3MBTL1
SCHEMBL11294862 0.72 ELANE (0.55) BCL2MCL1HKDC1MAPTL3MBTL1
SCHEMBL9239364 0.71 BCL2 (0.47) BCL2MCL1MAPTL3MBTL1MEN1
SCHEMBL9811057 0.70 ELANE (0.53) BCL2MCL1MAPTL3MBTL1MEN1
SCHEMBL1038715 0.67 BCL2 (0.80) BCL2MCL1HKDC1MAPTL3MBTL1
SCHEMBL17250420 0.67 MAPK1 (0.50) HKDC1MAPTL3MBTL1MEN1KMT2A
SCHEMBL9713666 0.67 PTPN1 (0.37) L3MBTL1MEN1KMT2APTPN1S100A4
SCHEMBL9738860 0.67 BCL2 (0.73) BCL2MCL1HKDC1MAPTL3MBTL1
SCHEMBL10502055 0.66 MAPT (0.70) BCL2MCL1HKDC1MAPTL3MBTL1

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed