SCHEMBL24924887

SCHEMBL24924887

N#Cc1cccc(-c2nc(-c3ccc(-c4ccccc4C#N)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)nc(-c3ccc(-c4ccccc4C#N)cc3-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.39
CYP3A4 P08684 9/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 5/20 0.39
CYP2D6 P10635 5/20 0.39
CLK4 Q9HAZ1 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2C19 P33261 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A3 P47895 1/20 0.38
HPGD P15428 3/20 0.37
USP2 O75604 3/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL26052026 0.99 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26051158 0.99 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26052223 0.99 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26051961 0.98 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26041225 0.97 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26055268 0.97 CYP1A2 (0.40) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26041223 0.96 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26054976 0.96 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26052285 0.96 ALDH1A3 (0.38) CYP1A2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL26041180 0.96 CYP1A2 (0.39) CYP1A2CYP3A4ALDH1A1MEN1KMT2A

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-20230034026-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING GREEN LIGHT SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-02 US disclosed