SCHEMBL19620498

SCHEMBL19620498

N#Cc1cccnc1C=CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
ALDH1A1 P00352 8/20 0.36
HPGD P15428 7/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 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
SCHEMBL31147724 0.79 CYP11B1 (0.43) LRRK2ALDH1A1HPGDNPC1RAB9A
SCHEMBL13415710 0.77 ALDH1A1 (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11509052 0.77 ALDH1A1 (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11509053 0.77 ALDH1A1 (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL4062071 0.77 LRRK2 (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2978064 0.77 LRRK2 (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5671302 0.74 MAPT (0.44) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL5671296 0.74 MAPT (0.44) ALDH1A1HPGDNPC1RAB9ACYP1A2
SCHEMBL30684932 0.73 ELANE (0.41) LRRK2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL18544672 0.73 HTT (0.36) LRRK2ALDH1A1HPGDHTTCYP1A2

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-1889891-B1 Luminescence device and display apparatus CANON KK (JP) 2017-11-22 EP disclosed