SCHEMBL11247071

SCHEMBL11247071

CCOC(=O)Cc1c(-c2ccccc2)nn(-c2cccc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
GSR P00390 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
DHFR P00374 2/20 0.44
APP P05067 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FAAH O00519 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 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
SCHEMBL11255371 0.87 POLB (0.56) KMT2APOLBMAPTMEN1MAPK1
SCHEMBL11245609 0.80 ALDH1A1 (0.48) KMT2ALMNAALDH1A1NPSR1FAAH
SCHEMBL4161662 0.80 MEN1 (0.54) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL11252096 0.79 MAPT (0.55) KMT2APOLBGSRMAPTMEN1
SCHEMBL11242309 0.79 SLC2A2 (0.51) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL11240983 0.75 KMT2A (0.52) KMT2AMAPTMEN1MAPK1SMN1; SMN2
SCHEMBL11731366 0.74 HPGD (0.54) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL6123566 0.74 ALDH1A1 (0.61) MAPTCA1CA2SMN1; SMN2ALDH1A1
SCHEMBL11249311 0.74 RPA1 (0.51) KMT2APOLBMAPTMEN1CA1
SCHEMBL1997120 0.72 ALDH1A1 (0.53) KMT2AMEN1MAPK1CA1CA2

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed