SCHEMBL7409257

SCHEMBL7409257

CC(C)(C)c1cccc2[nH]nc(C(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ YTHDC1 Q96MU7 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PRKAG1 P54619 4/20 0.37
▸ PRKAA1 Q13131 4/20 0.37
▸ PRKAB1 Q9Y478 4/20 0.37
▸ PRKAB2 O43741 3/20 0.37
▸ PRKAA2 P54646 3/20 0.37
▸ PRKAG3 Q9UGI9 3/20 0.37
▸ PRKAG2 Q9UGJ0 3/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CTNNB1 P35222 2/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAP2K4 P45985 2/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL570533 0.79 HAO1 (0.50) KDM4EYTHDC1STAT3HIF1ACCNA2
SCHEMBL7304420 0.79 PRKAG1 (0.36) KDM4EYTHDC1STAT3HIF1APRKAG1
Hydrochloric Acid SCHEMBL9444673 0.78 HAO1 (0.49) KDM4EYTHDC1STAT3HIF1ACCNA2
SCHEMBL28497966 0.77 PARP1 (0.45) KDM4EYTHDC1STAT3HIF1APRKAG1
SCHEMBL1967918 0.77 GPR17 (0.43) KDM4EYTHDC1STAT3HIF1APRKAG1
SCHEMBL28503102 0.76 PARP1 (0.44) KDM4EYTHDC1STAT3HIF1APRKAG1
SCHEMBL16240884 0.76 CTNNB1 (0.44) KDM4EYTHDC1STAT3HIF1APRKAG1
SCHEMBL7374273 0.76 GAA (0.54) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7420704 0.75 KDM4E (0.39) KDM4EYTHDC1STAT3HIF1APRKAG1
SCHEMBL492585 0.75 CTNNB1 (0.48) KDM4ESTAT3HIF1APRKAG1PRKAA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 — — EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 — — US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 — — WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 — — US disclosed
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