SCHEMBL21278720

SCHEMBL21278720

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A3 P47895 1/20 0.38
NTSR1 P30989 1/20 0.37
ADORA1 P30542 7/20 0.36
ADORA2A P29274 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MYC P01106 1/20 0.36
CYP1A2 P05177 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
SCHEMBL21278730 0.97 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22563682 0.97 ALDH1A3 (0.39) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL22563676 0.94 ALDH1A3 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21278865 0.94 ALDH1A3 (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19943079 0.93 CYP1A2 (0.38) MEN1KMT2AALDH1A1MAPTABCG2
SCHEMBL21279090 0.92 ABCG2 (0.46) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL19909211 0.92 MYC (0.43) MEN1KMT2AALDH1A1HPGDABCG2
SCHEMBL21414165 0.92 CYP1A2 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21278785 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21278849 0.92 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT

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-3399004-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-21 EP disclosed