SCHEMBL10878232

SCHEMBL10878232

C=CC(N)c1ccccc1/C=C1/C(=O)NSc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FLT3 P36888 2/20 0.30

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
SCHEMBL6015994 0.71 L3MBTL1 (0.36) KMT2A
SCHEMBL6015962 0.68 NTRK1 (0.62) NPC1MEN1KMT2AFLT3
SCHEMBL1076557 0.68 ALDH1A1 (0.41) —
SCHEMBL5656918 0.65 MEN1 (0.32) NPC1MEN1KMT2A
SCHEMBL6016053 0.64 CHEK1 (0.66) KMT2AFLT3
SCHEMBL10755182 0.63 — —
SCHEMBL666673 0.63 DPP4 (0.33) —
SCHEMBL4975646 0.62 KDM4E (0.42) MEN1KMT2A
SCHEMBL11585770 0.61 ADORA2A (0.50) NPC1MEN1KMT2A
SCHEMBL170429 0.59 ALDH1A1 (0.40) KMT2A

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-4595685-A Pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 — — US disclosed
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