SCHEMBL11248919

SCHEMBL11248919

COc1ccc(-c2c(CC(=O)O)c(-c3ccccc3)nn2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
ATM Q13315 1/20 0.49
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RPA1 P27694 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL11251973 0.96 RPA1 (0.50) PTGDR2ALDH1A1HTTLMNAL3MBTL1
Trifezolac SCHEMBL11182574 0.89 KDM4E (0.51) PTGDR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL11245609 0.88 ALDH1A1 (0.48) ALDH1A1HTTLMNAL3MBTL1ATM
SCHEMBL11248876 0.86 TP53 (0.53) ALDH1A1LMNAKMT2ANPSR1
SCHEMBL11723943 0.86 KMT2A (0.50) PTGDR2ALDH1A1HTTLMNAL3MBTL1
SCHEMBL11727072 0.86 HTT (0.49) PTGDR2ALDH1A1HTTLMNAL3MBTL1
SCHEMBL11728903 0.86 L3MBTL1 (0.49) PTGDR2ALDH1A1HTTLMNAL3MBTL1
SCHEMBL11254636 0.85 BCL2 (0.48) PTGDR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL11699362 0.84 KDM4E (0.55) PTGDR2ALDH1A1L3MBTL1CCNA2CDK2
SCHEMBL7995963 0.84 PTGS1 (0.52) ALDH1A1HTTLMNAL3MBTL1ATM

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 5 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 claimed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US claimed
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
US-4046787-A ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed