SCHEMBL9713458

SCHEMBL9713458

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCL2 P10415 4/20 0.35
MCL1 Q07820 4/20 0.35
TSHR P16473 1/20 0.33
HTR7 P34969 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 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
SCHEMBL9627527 0.81 S100A4 (0.50) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL9627459 0.81 S100A4 (0.50) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL9628399 0.80 MAOA (0.50) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL9627695 0.79 PARK7 (0.39) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL9628338 0.77 MAPT (0.56) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL9713787 0.77 BCL2 (0.45) KMT2AALDH1A1LMNAMAPTTDP1
SCHEMBL9713666 0.72 PTPN1 (0.37) HSD17B10KMT2AHTR7L3MBTL1NSD2
SCHEMBL29036115 0.71 MCL1 (0.46) HSD17B10ALDH1A1MAPTBCL2MCL1
SCHEMBL9685867 0.70 S100A4 (0.57) TDP1BCL2MCL1MAPK1L3MBTL1
SCHEMBL11294862 0.70 ELANE (0.55) KMT2AHTTALDH1A1LMNAMAPT

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