SCHEMBL12525964

SCHEMBL12525964

Cc1ccccc1C(=O)Nc1nnc(-c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 9/20 0.72
▸ CSNK2A1 P68400 9/20 0.72
▸ DDX3X O00571 3/20 0.64
▸ NPC1 O15118 7/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.57

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
SCHEMBL17318698 0.88 NPC1 (0.64) DDX3XNPC1RAB9AMEN1KMT2A
SCHEMBL17318586 0.85 KDM4E (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL17318553 0.84 NPC1 (0.61) DDX3XNPC1RAB9AMEN1KMT2A
SCHEMBL12700360 0.80 DDX3X (0.84) CSNK2A2CSNK2A1DDX3XNPC1RAB9A
SCHEMBL11386627 0.78 KMT2A (0.67) CSNK2A2CSNK2A1NPC1RAB9AMEN1
SCHEMBL15507356 0.76 CSNK2A2 (0.74) CSNK2A2CSNK2A1NPC1RAB9A
SCHEMBL13357697 0.75 DDX3X (0.76) CSNK2A2CSNK2A1DDX3XNPC1RAB9A
SCHEMBL5238426 0.75 HPGD (0.77) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11480689 0.75 CSNK2A2 (0.83) CSNK2A2CSNK2A1NPC1RAB9AMEN1
SCHEMBL15507119 0.75 CSNK2A2 (0.72) CSNK2A2CSNK2A1DDX3X

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-2012121168-A1 KINASE INHIBITOR 国立大学法人京都大学 (JP) 2012-09-13 — — WO disclosed
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