SCHEMBL9713724

SCHEMBL9713724

O=C1C=C(Cl)C(=O)c2ccc(Sc3ccccn3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
PDE7A Q13946 3/20 0.40
POLB P06746 2/20 0.40
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL9713573 0.79 MAOA (0.55) BCL2MCL1MEN1KMT2AMAOA
SCHEMBL9713712 0.78 DDAH1 (0.41) PDE7ABCL2MCL1MAOAMAOB
SCHEMBL9713415 0.77 BCL2 (0.39) PDE7ABCL2MCL1MAPTHPGD
SCHEMBL9713222 0.76 PTPN1 (0.38) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL9713334 0.73 MCL1 (0.57) BCL2MCL1MAOAMAOB
SCHEMBL9713331 0.73 SLC6A4 (0.39) L3MBTL1BCL2MCL1MAPTSMN1; SMN2
SCHEMBL9713721 0.70 P4HB (0.44) L3MBTL1BCL2MCL1MEN1KMT2A
SCHEMBL9642920 0.70 PTPN1 (0.41) L3MBTL1POLBBCL2MCL1MAPT
SCHEMBL4682214 0.69 L3MBTL1 (0.96) L3MBTL1PDE7APOLBMAPTMEN1
SCHEMBL8773066 0.69 S100A4 (0.56)

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed