SCHEMBL28147116

SCHEMBL28147116

O=C(c1ccc(Cc2cccc(Cl)c2)s1)c1ccc(Cc2cccc(Cl)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGER1 P34995 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL4156358 0.88 HTT (0.49) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL7826555 0.82 FEN1 (0.52) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL17398547 0.82 LMNA (0.47) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL7081256 0.76 LMNA (0.47) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL1680462 0.76 PNMT (0.58) LMNAMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL30579047 0.75 LMNA (0.44) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL1680353 0.75 LMNA (0.44) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL25394579 0.75 LMNA (0.43) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL1681321 0.73 LMNA (0.48) LMNAKMT2AMAPTMEN1NPC1
SCHEMBL5726791 0.73 NAAA (0.46) LMNAKMT2AMEN1NPC1RAB9A

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
CN-106999479-A It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors 米伦纽姆医药公司 2017-08-01 CN disclosed