SCHEMBL22823937

SCHEMBL22823937

N#Cc1cccc(-c2c3cc4c(cc3c(-c3cccc(C#N)c3)c3c5cccc6cccc(c23)c65)c2cc3ccccc3c3cccc4c32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 5/20 0.40
LMNA P02545 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.40
ADORA2A P29274 3/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL17490270 0.96 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL17490269 0.96 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL23081237 0.92 CLK4 (0.42) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL23348952 0.90 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL17490296 0.87 CA1 (0.37) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL17490295 0.87 CA1 (0.37) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL15960555 0.86 CA1 (0.39) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL17487135 0.84 CA1 (0.40) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL17487130 0.84 CA1 (0.40) CYP1A2ALDH1A1CYP3A4LMNAMEN1
SCHEMBL23081541 0.82 CA1 (0.35) CYP1A2ALDH1A1CYP3A4LMNAMEN1

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-20200403173-A1 ORGANIC LIGHT EMITTING ELEMENT, AND DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2020-12-24 US disclosed