SCHEMBL27320783

SCHEMBL27320783

CN(C)CC=C(C=O)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
RECQL P46063 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
GRM5 P41594 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL27351179 0.79 HTT (0.41)
SCHEMBL27765306 0.79 HTT (0.41)
SCHEMBL27605600 0.78 NAPRT (0.44) POLB
SCHEMBL27786734 0.77 POLB (0.66) POLB
SCHEMBL27624613 0.75 HCAR2 (0.41)
SCHEMBL27576356 0.72 POLB (0.44) POLB
SCHEMBL27275148 0.72 ALDH1A1 (0.41) POLBRECQL
SCHEMBL28198796 0.72 ALDH1A1 (0.41) POLBRECQL
SCHEMBL2634209 0.71 CYP3A4 (0.57)
SCHEMBL27764938 0.70 ALDH1A1 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047776-C Pharmacologically active pyridine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 1999-12-29 CN disclosed
CN-1115982-A pyridine derivatives having pharmacological activity and preparation method thereof CIBA GEIGY AG (CH) 1996-01-31 CN disclosed