SCHEMBL29576353

SCHEMBL29576353

O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)NC=CN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
ALOX12 P18054 1/20 0.44
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
ADRA1A P35348 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 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
SCHEMBL28624818 0.68 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL6648061 0.68 CAPN9 (0.49) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL25602291 0.68 USP7 (0.74) MAPTGAAUSP7GAPDHHSPA1A
SCHEMBL10929004 0.68 MAPT (0.56) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL11079648 0.67 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL11679672 0.65 USP7 (0.48) ALDH1A1MAPTKMT2AL3MBTL1MEN1
SCHEMBL27556649 0.64 GABRP (0.58) MAPTKMT2AMEN1GABRPGABRD
SCHEMBL11680603 0.64 L3MBTL1 (0.41) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL11153665 0.63 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL31220888 0.63 TSHR (0.56) ALDH1A1MAPTKMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961235-B Clonazepam whole antigen and preparation method thereof 杭州隆基生物技术有限公司 2022-05-10 CN claimed
CN-112961235-B Clonazepam whole antigen and preparation method thereof 杭州隆基生物技术有限公司 2022-05-10 CN disclosed
CN-112961235-B Clonazepam whole antigen and preparation method thereof 杭州隆基生物技术有限公司 2022-05-10 CN disclosed