SCHEMBL17145189

SCHEMBL17145189

CC(=O)CCSc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
ADORA3 P0DMS8 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL353399 0.88 ALDH1A1 (0.40) HPGDHSP90AA1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL1356152 0.86 PKM (0.40) HPGDHSP90AA1KCNH2SMN1; SMN2NPC1
SCHEMBL28852248 0.85 HTT (0.39) HPGDHSP90AA1KCNH2SMN1; SMN2NPC1
SCHEMBL17145191 0.83 RXFP1 (0.42) HPGDSMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL29281059 0.83 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HDAC1
SCHEMBL13578479 0.81 CA12 (0.38) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17145190 0.81 MEN1 (0.35) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL4284556 0.79 FFAR1 (0.46) HPGDALDH1A1LMNAGAACYP2C19
SCHEMBL13648646 0.79 ALDH1A1 (0.35) HPGDHSP90AA1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL13648613 0.78 HTT (0.34) HPGDSMN1; SMN2ALDH1A1LMNACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9152041-B2 Display panel including patterned spacer LG CHEM, LTD. (KR) 2015-10-06 US disclosed