4-Imidazolecarboxylic Acid

4-Imidazolecarboxylic Acid

SCHEMBL13733596

COC(=O)c1c[nH]cn1.O=C(O)c1c[nH]cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MAP2K1 Q02750 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34

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
SCHEMBL69204 0.93
Trifluoroacetic Acid SCHEMBL30271697 0.85 MAPK1 (0.40) KDM4EMAPK1L3MBTL1NPC1POLB
Biphenyl SCHEMBL27647991 0.85 AXL (0.48) MAPK1NPC1POLBRAB9ATSHR
4-Imidazolecarboxylic Acid SCHEMBL70915 0.84
4-Imidazolecarboxylic Acid SCHEMBL1759996 0.82
4-Imidazolecarboxylic Acid SCHEMBL1436797 0.82
4-Imidazolecarboxylic Acid SCHEMBL10564448 0.82
4-Imidazolecarboxylic Acid SCHEMBL28123266 0.82 KDM4E (0.37) KDM4EL3MBTL1KDM6BKDM5CKDM4C
4-Imidazolecarboxylic Acid SCHEMBL28097251 0.82
SCHEMBL3189182 0.82 KDM4E (0.40) KDM4EMAPK1L3MBTL1KDM6BKDM5C

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
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed