SCHEMBL22970341

SCHEMBL22970341

C1=CC2=CC=C(c3ccc4ccc(C5=NCCN5)nc4c3)NC2C=C1c1ccc(-c2ccc3ccc4c(c3n2)NC(c2ccccc2)C=C4)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 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
SCHEMBL22970517 0.85
SCHEMBL22970371 0.84
SCHEMBL22970420 0.83
SCHEMBL22970520 0.82
SCHEMBL22970527 0.82
SCHEMBL22970359 0.82
SCHEMBL22970178 0.81
SCHEMBL22970367 0.81
SCHEMBL22970438 0.80
SCHEMBL22970532 0.79

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
WO-2021025356-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 엘티소재주식회사 2021-02-11 WO disclosed