SCHEMBL11575842

SCHEMBL11575842

CN1C=CC=CC1=CC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL20414330 0.73
SCHEMBL21990409 0.71
SCHEMBL21990407 0.71
SCHEMBL21267672 0.68 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11600268 0.67 GSK3A (0.33)
SCHEMBL20229701 0.67 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTRAB9A
Pralidoxime SCHEMBL21981153 0.67 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTRAB9A
Pralidoxime SCHEMBL1650343 0.65 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL13651426 0.62 NPSR1 (0.44) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11576604 0.62 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTRAB9A

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
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed