SCHEMBL11220801

SCHEMBL11220801

Cn1cnc(=O)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ NSD3 Q9BZ95 1/20 0.40
▸ ADK P55263 1/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39

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
SCHEMBL822577 0.72 NPC1 (0.47) KMT2ANSD3CYP1A2CYP3A4ADORA1
SCHEMBL27464882 0.71 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10RXFP1
SCHEMBL11720032 0.69 MAPK13 (0.44) ALDH1A1KDM4EHPGDBRD4KMT2A
SCHEMBL7859870 0.67 — —
SCHEMBL26388364 0.67 KMT2A (0.45) ALDH1A1KDM4EHPGDHSD17B10BRD4
SCHEMBL3754852 0.67 KMT2A (0.45) ALDH1A1KDM4EHSD17B10RXFP1BRD4
SCHEMBL5541734 0.67 CSNK1D (0.57) KMT2A
SCHEMBL11748346 0.67 CYP2E1 (0.45) ALDH1A1KDM4EHSD17B10BRD4KMT2A
SCHEMBL10140884 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AGAARECQL
SCHEMBL8205966 0.66 KMT2A (0.48) ALDH1A1KDM4EHPGDHSD17B10BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57018603-A — — None — — JP disclosed
JP-S5718603-A HERBICIDE SUMITOMO CHEM CO LTD 1982-01-30 — — JP disclosed
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