SCHEMBL2763559

SCHEMBL2763559

CCCCc1ncc(C=O)[nH]1.O=Cc1cnc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
HRH4 Q9H3N8 4/20 0.38
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
AOC1 P19801 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1258486 0.88 HIF1A (0.44) HRH3HIF1AEPAS1KMT2A
SCHEMBL7493066 0.78 HIF1A (0.39) HIF1AEPAS1KMT2A
SCHEMBL193417 0.73
SCHEMBL4034786 0.71
SCHEMBL28319712 0.71
SCHEMBL14333827 0.68 HCAR2 (0.34) HIF1AEPAS1KMT2A
Dimethylformamide SCHEMBL27681028 0.67 TSHR (0.43) HRH3HRH4CYP3A4AOC1MEN1
SCHEMBL14335170 0.65 TSHR (0.46) HIF1AEPAS1KMT2A
SCHEMBL5789575 0.65 NPC1 (0.33) KMT2A
SCHEMBL6251513 0.65 HRH3 (0.38) HRH3MEN1KMT2A

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
EP-1871745-B1 PREPARATION OF 2-SUBSTITUTED 4-CHLORO-5-FORMYLIMIDAZOLES BY VILSMEIER REACTION OF THE CONDENSATION PRODUCT OF GLYCINE AND AN IMIDO ESTER WITH A FORMAMIDE IN THE PRESENCE OF A TRIFLATE (TRIFLUORMETHANESULPHONATE) CATALYST DISHMAN PHARMACEUTICALS AND CH (IN) 2010-10-20 EP claimed