SCHEMBL287968

SCHEMBL287968

COC(=O)c1ccc(C(=O)NNC(=O)C2=CN=CC(CC(=O)c3cccs3)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
CYP2C19 P33261 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL660571 0.74 TDP1 (0.41) TDP1MAPK1RAB9ANPC1ALDH1A1
SCHEMBL287370 0.74 ALDH1A1 (0.43) MAPK1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL287467 0.71 POLB (0.36) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL287683 0.71 NPC1 (0.39) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL287119 0.68 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1KMT2AL3MBTL1
SCHEMBL287825 0.68 ALDH1A1 (0.34) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL287432 0.67 TSHR (0.41) TDP1MAPK1RAB9ANPC1ALDH1A1
SCHEMBL285705 0.67 ALDH1A1 (0.33) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL27871728 0.64 TDP1 (0.43) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL7673121 0.62 MAPK1 (0.72) MAPK1RAB9ANPC1ALDH1A1KMT2A

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
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed