SCHEMBL30856586

SCHEMBL30856586

Cc1cc(N)nc(N2CCCC(=C(F)F)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GBA1 P04062 6/20 0.36
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL29195485 1.00 HRH4 (0.39) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL24815805 0.83 KMT2A (0.41) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL29195509 0.78 GRIN2D (0.53) HRH4KDM4EHSD17B10ALDH1A1CRHBP
SCHEMBL30788620 0.77 HRH4 (0.58) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL22148449 0.77 HRH4 (0.58) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL22119420 0.68 NOS3 (0.44) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL31470240 0.68 KMT2A (0.35) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL11898909 0.67 KMT2A (0.68) HRH4KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL31120933 0.67 NOS3 (0.38) HRH4KDM4EKMT2AHSD17B10MEN1
SCHEMBL29187344 0.67 NOS3 (0.41) HRH4KDM4EKMT2AHSD17B10MEN1

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
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 — — CN disclosed
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