SCHEMBL6086306

SCHEMBL6086306

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2nc3ccccc3o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HCRTR2 O43614 1/20 0.38
RAB9A P51151 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CD O00329 1/20 0.36
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AKR1B1 P15121 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 4/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.33
DPP4 P27487 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 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
SCHEMBL6089793 0.86 RAB9A (0.38) KMT2AALDH1A1MAPTHCRTR2RAB9A
SCHEMBL7837569 0.85 KMT2A (0.37) KMT2AALDH1A1MAPTHCRTR2RAB9A
SCHEMBL6087401 0.81 HCRTR2 (0.38) KMT2AALDH1A1MAPTHCRTR2RAB9A
SCHEMBL6088008 0.81 DPP4 (0.36) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL6086605 0.81 HPGD (0.42) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL6087446 0.81 HCRTR2 (0.39) KMT2AALDH1A1MAPTHCRTR2RAB9A
SCHEMBL6086282 0.79 DAO (0.45) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL6086314 0.78 HTT (0.33) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL6088087 0.78 GRIN1 (0.45) ALDH1A1HPGDHSD17B10
SCHEMBL6086546 0.78 TPH1 (0.34) KMT2AALDH1A1MAPTMEN1SMN1; SMN2

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-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed