SCHEMBL18831149

SCHEMBL18831149

CO/N=C/c1ccnc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.44
▸ GAA P10253 1/20 0.38
▸ LOX P28300 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDR P35968 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 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
SCHEMBL18831150 1.00 SRC (0.44) SRCGAALOXLOXL2MAPT
SCHEMBL16303318 0.72 TERT (0.38) SRC
SCHEMBL16292516 0.72 TERT (0.38) SRC
SCHEMBL29956230 0.72 ALDH1A1 (0.38) LOXLOXL2ALDH1A1SMN1; SMN2
SCHEMBL20276120 0.72 ALDH1A1 (0.38) LOXLOXL2ALDH1A1SMN1; SMN2
SCHEMBL17984969 0.71 MAP1LC3B (0.33) MEN1KMT2A
SCHEMBL12756953 0.69 SRC (0.47) SRCGAAMAPTLMNAALDH1A1
SCHEMBL1061501 0.68 NOS2 (0.62) LOXLOXL2MAPTALDH1A1NOS3
SCHEMBL9768798 0.68 CYP1A2 (0.45) GAAMAPTLMNANOS3NOS1
SCHEMBL27982847 0.68 SRC (0.44) SRCGAAMAPTLMNAALDH1A1

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-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
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