SCHEMBL18880283

SCHEMBL18880283

CNCc1ccnc(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 3/20 0.42
▸ LOXL2 Q9Y4K0 8/20 0.42
▸ LOX P28300 3/20 0.42
▸ LOXL3 P58215 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ NOS1 P29475 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL23891936 0.82 CYP1A2 (0.44) PRMT6LOXL2EPHX2ADRB2NOS1
SCHEMBL27113641 0.81 LOXL2 (0.40) LOXL2LOXLOXL3ADRB2NOS1
SCHEMBL14076165 0.81 PRMT6 (0.42) PRMT6LOXL2EPHX2ADRB2NOS1
SCHEMBL4107151 0.79 LOXL2 (0.61) LOXL2LOXLOXL3ADRB2NOS1
SCHEMBL18831147 0.79 MC4R (0.44) PRMT6EPHX2KDM4EHRH3ALOX15
SCHEMBL10061634 0.78 NOS1 (0.62) PRMT6EPHX2ADRB2NOS1KDM4E
SCHEMBL12213655 0.78 PRMT6 (0.46) PRMT6LOXL2EPHX2ADRB2NOS1
SCHEMBL15200880 0.78 NOS3 (0.61) LOXL2LOXLOXL3NOS1KDM4E
Hydrochloric Acid SCHEMBL5013442 0.77 LOXL2 (0.59) LOXL2LOXLOXL3ADRB2NOS1
SCHEMBL27115679 0.76 LOXL2 (0.36) LOXL2LOXLOXL3NOS1KDM4E

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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