SCHEMBL28024221

SCHEMBL28024221

CC1C=CC=CC1(C#N)c1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP11B2 P19099 1/20 0.30
LMNA P02545 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL10374739 0.82 KDM4E (0.33) ALDH1A1KMT2AGAAKDM4ELMNA
SCHEMBL31298552 0.82
SCHEMBL15663179 0.66
SCHEMBL17146949 0.65 HSD11B1 (0.48) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL20558279 0.63 HSD11B1 (0.44) MAPTALDH1A1MAPK1KMT2APOLB
SCHEMBL26103302 0.63
SCHEMBL7688352 0.62 HSD11B1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21835188 0.61 KCNA5 (0.34) MAPTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL22629246 0.61 HSD11B1 (0.40) MAPTALDH1A1MAPK1KMT2AHCAR2
SCHEMBL22629830 0.61 HSD11B1 (0.40) MAPTALDH1A1MAPK1KMT2APOLB

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-104892502-A Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG 2015-09-09 CN disclosed
CN-102803217-B Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2015-06-17 CN disclosed