SCHEMBL11245208

SCHEMBL11245208

CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MEN1 O00255 2/20 0.72
NLRP3 Q96P20 1/20 0.72
PTGES O14684 11/20 0.69
PTGS2 P35354 3/20 0.65
POLB P06746 1/20 0.62
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTGS1 P23219 1/20 0.52

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
SCHEMBL11258989 0.84 KMT2A (1.00) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL22259732 0.82 PTGES (0.63) KMT2AMEN1NLRP3PTGESALDH1A1
SCHEMBL22260230 0.82 PTGES (1.00) KMT2APTGESKDM4EHPGDNPSR1
SCHEMBL22260247 0.82 PTGES (0.73) KMT2AMEN1PTGESALDH1A1KDM4E
SCHEMBL22259985 0.81 PTGES (0.80) KMT2AMEN1NLRP3PTGESPTGS2
SCHEMBL27440613 0.81 PTGES (0.65) KMT2AMEN1NLRP3PTGESALDH1A1
SCHEMBL22260235 0.81 PTGES (1.00) KMT2APTGESKDM4EHPGDNPSR1
SCHEMBL27440624 0.81 PTGES (0.68) KMT2AMEN1NLRP3PTGESALDH1A1
SCHEMBL28358360 0.80 PTGS2 (0.94) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL3447906 0.80 PTGS2 (1.00) KMT2AMEN1NLRP3PTGS2POLB

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