SCHEMBL29459322

SCHEMBL29459322

CCSc1nc2c(ccc3nccnc32)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ MAPT P10636 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PI4KB Q9UBF8 1/20 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
SCHEMBL26097933 0.73 PTGS1 (0.38) L3MBTL1CYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL15209996 0.71 CYP1A2 (0.41) L3MBTL1CYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL29459319 0.71 CA2 (0.38) L3MBTL1HIF1AMAPTLMNAALDH1A1
SCHEMBL10816690 0.70 LMNA (0.51) L3MBTL1CYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL26462923 0.69 MEN1 (0.32) MAPTLMNAALDH1A1PIK3CGMEN1
SCHEMBL774785 0.68 CYP1A2 (0.73) L3MBTL1CYP1A2CYP2D6MAPK1CYP3A4
SCHEMBL30423143 0.68 SMN1; SMN2 (0.71) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL9622398 0.68 SMN1; SMN2 (0.71) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL23706910 0.68 ALDH1A1 (0.40) L3MBTL1MAPTLMNAALDH1A1HTT
SCHEMBL26133650 0.68 SMN1; SMN2 (0.33) L3MBTL1CYP1A2MAPK1CYP3A4CYP2C19

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-2022059778-A1 CYCLIC UREA DERIVATIVE カルナバイオサイエンス株式会社 2022-03-24 — — WO disclosed
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