SCHEMBL29953885

SCHEMBL29953885

Cc1nn(-c2ccccn2)c(Cl)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ CCNA2 P20248 4/20 0.43
▸ CDK2 P24941 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ CCNO P22674 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CCNA1 P78396 1/20 0.40

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
SCHEMBL730547 1.00 MAPT (0.50) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL123248 0.85 ALDH1A1 (0.52) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL29951140 0.82 FFAR4 (0.40) MAPTMAPK1SMN1; SMN2CDK2ALDH1A1
SCHEMBL29951390 0.82 MAPK14 (0.38) MAPTMAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL15330342 0.82 HMGCR (0.40) MAPTMAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL29952980 0.81 HTT (0.42) MAPTMAPK1HTTSMN1; SMN2CCNA2
SCHEMBL15329713 0.81 ALDH1A1 (0.46) MAPTMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL29955284 0.80 DHFR (0.38) MAPTMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL15332241 0.79 HMGCR (0.40) MAPTMAPK1LMNA
SCHEMBL5190922 0.79 HTT (0.48) MAPTMAPK1HTTSMN1; SMN2CCNA2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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