SCHEMBL5795256

SCHEMBL5795256

COc1ccsc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
L3MBTL1 Q9Y468 7/20 0.44
KDM4E B2RXH2 6/20 0.44
LMNA P02545 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL18752563 0.77 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL5133848 0.74 KEAP1 (0.52) TDP1TP53ALDH1A1GAAKMT2A
SCHEMBL14050964 0.74 MEN1 (0.48) SMN1; SMN2L3MBTL1KDM4ELMNAHTT
SCHEMBL6745096 0.74 KDM4E (0.50) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL5795507 0.73 KDM4E (0.52) TRPM8SMN1; SMN2L3MBTL1KDM4ELMNA
SCHEMBL7425804 0.73 KDM4E (0.53) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL28931079 0.73 KDM4E (0.48) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL4974076 0.73 KDM4E (0.48) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL3714318 0.73 KDM4E (0.48) SMN1; SMN2L3MBTL1KDM4ELMNATDP1
SCHEMBL5462166 0.72 SMN1; SMN2 (0.55) TRPM8SMN1; SMN2L3MBTL1KDM4ELMNA

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
WO-2006018544-A1 COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2006-02-23 WO claimed
WO-2006018544-A1 COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY UNIVERSITE CLAUDE BERNARD LYON I (FR) 2006-02-23 WO disclosed