SCHEMBL5983208

SCHEMBL5983208

CCc1nc(CCc2nc(N)nc(N)n2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DHFR P00374 1/20 0.31

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
SCHEMBL16460924 0.83 CASP1 (0.38) CASP1DHFR
SCHEMBL546259 0.83 CASP1 (0.38) CASP1DHFR
SCHEMBL415674 0.79 CASP1 (0.42) CASP1TSHRCYP1A2
SCHEMBL4720914 0.77 HRH4 (0.35) TSHRLMNASMN1; SMN2
SCHEMBL3696816 0.76 BACE1 (0.35) CYP1A2
SCHEMBL17966713 0.74 HRH3 (0.39) —
SCHEMBL338572 0.73 — —
SCHEMBL3842012 0.73 HRH3 (0.41) —
SCHEMBL5983225 0.72 CASP1 (0.42) CASP1TSHR
SCHEMBL5708662 0.72 CASP1 (0.35) CASP1TSHRCYP1A2SMN1; SMN2

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-2006112568-A1 ENAMEL VANISH COMPOSITION FOR ENAMEL WIRE AND ENAMEL WIRE USING THE SAME LS CABLE LTD. (KR) 2006-10-26 — — WO disclosed
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