SCHEMBL18860206

SCHEMBL18860206

CNCCCNCc1cc(CNC)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ SCN8A Q9UQD0 1/20 0.38
▸ PRMT6 Q96LA8 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL18831147 0.88 MC4R (0.44) CHRM2SIRT2HRH3SCN8APRMT6
SCHEMBL18880300 0.82 CHRM2 (0.42) CHRM2SIRT2LMNAKDM4EKDM4A
SCHEMBL16006938 0.78 SIGMAR1 (0.54) SIRT2ALDH1A1KDM4EKDM5B
SCHEMBL6205124 0.77 CHRM2 (0.72) CHRM2SIRT2HRH3SCN8AALOX15
SCHEMBL23891936 0.75 CYP1A2 (0.44) HRH3PRMT6ALOX15LMNATAAR1
SCHEMBL12213655 0.75 PRMT6 (0.46) PRMT6EPHX2KDM4EADRB2PDCD1
SCHEMBL18880283 0.74 PRMT6 (0.42) HRH3PRMT6ALOX15LMNATAAR1
SCHEMBL14076165 0.74 PRMT6 (0.42) HRH3PRMT6ALOX15LMNATAAR1
SCHEMBL18860211 0.74 KDM4A (0.41) CHRM2SIRT2PRMT6ALOX15LMNA
SCHEMBL21527214 0.72 NOS3 (0.52) HRH3PRMT6ALOX15LMNATAAR1

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
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
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