SCHEMBL7420704

SCHEMBL7420704

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ YTHDC1 Q96MU7 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ CDK2 P24941 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PDPK1 O15530 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ RGS12 O14924 1/20 0.36

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
SCHEMBL4777030 0.86 MAP2K4 (0.41) KDM4EHIF1AYTHDC1STAT3CDK2
Oxalic Acid SCHEMBL7429490 0.85 MAP2K4 (0.39) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL570533 0.79 HAO1 (0.50) KDM4EHIF1AYTHDC1STAT3CDK2
Hydrochloric Acid SCHEMBL9444673 0.78 HAO1 (0.49) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL28497966 0.77 PARP1 (0.45) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL1967918 0.77 GPR17 (0.43) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL28503102 0.76 PARP1 (0.44) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL16240884 0.76 CTNNB1 (0.44) KDM4EHIF1AYTHDC1STAT3CDK2
SCHEMBL7374273 0.76 GAA (0.54) TTKCDK5DYRK1ACLK4PRKAG1
SCHEMBL7409257 0.75 KDM4E (0.39) KDM4EHIF1AYTHDC1STAT3CDK2

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
WO-1999017772-A1 5HT4 AGONISTS AND ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-04-15 — — WO disclosed
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