SCHEMBL8834922

SCHEMBL8834922

Cc1csc(C(C)C(=O)C(C)c2cc(C)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAF1 P04049 1/20 0.31
TP53 P04637 1/20 0.31
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11353161 0.86 DAO (0.48) DAOHCAR3HCAR2ALDH1A1LMNA
SCHEMBL2735677 0.76
SCHEMBL27942089 0.75 DAO (0.45) DAOHCAR3HCAR2MAPTTP53
SCHEMBL9918172 0.75
SCHEMBL11388786 0.73 DAO (0.40) DAO
Hydrochloric Acid SCHEMBL10922590 0.73 DAO (0.44) DAOHCAR3HCAR2LMNA
SCHEMBL11690473 0.72 DAO (0.47) DAOHCAR3HCAR2LMNAMAPT
SCHEMBL27617816 0.72 DAO (0.42) DAOSMN1; SMN2
SCHEMBL29183919 0.72 DAO (0.39) DAOALDH1A1LMNAMAPT
SCHEMBL19222441 0.71

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
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed