SCHEMBL29686396

SCHEMBL29686396

CCONC(=O)c1cccnc1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.55
NAPRT Q6XQN6 1/20 0.53
P2RX7 Q99572 1/20 0.47
VCP P55072 4/20 0.47
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL29520153 0.81 PRKCI (0.58) PRKCINAPRTP2RX7VCPALDH1A1
SCHEMBL13973141 0.81 PRKCI (0.58) PRKCINAPRTP2RX7VCPALDH1A1
SCHEMBL26693008 0.80 P2RX7 (0.66) PRKCINAPRTP2RX7VCPALDH1A1
SCHEMBL1232303 0.78 PRKCI (0.63) PRKCINAPRTP2RX7VCPGAA
SCHEMBL11538362 0.78 PRKCI (0.55) PRKCINAPRTP2RX7VCPHTT
SCHEMBL11538360 0.78 PRKCI (0.58) PRKCINAPRTP2RX7VCPALDH1A1
SCHEMBL181049 0.78 ALDH1A1 (0.60) NAPRTHTTNPC1TSHRALDH1A1
SCHEMBL1558090 0.77 ALDH1A1 (0.59) NPC1TSHRALDH1A1KDM4EHPGD
SCHEMBL627230 0.76 PRKCI (0.65) PRKCINAPRTP2RX7VCPKDM4E
SCHEMBL12441324 0.76 NAPRT (0.50) PRKCINAPRTP2RX7HTTALDH1A1

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-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 WO disclosed