SCHEMBL21743648

SCHEMBL21743648

c1ccc(C2(c3ccccc3)c3ccccc3Sc3c(-c4nc(-c5ccc6ccccc6c5)c5ccccc5n4)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
ADORA2A P29274 2/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL21743403 0.90 MEN1 (0.35) MEN1KMT2AATMADORA2A
SCHEMBL21743409 0.90 MEN1 (0.40) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL21743651 0.85 MEN1 (0.38) MEN1KMT2AATMAURKAAURKB
SCHEMBL21743650 0.85 MEN1 (0.38) MEN1KMT2AATMAURKAAURKB
SCHEMBL21744103 0.84 NPC1 (0.34) MEN1KMT2AALDH1A1MAPT
SCHEMBL21743411 0.84 S1PR5 (0.31)
SCHEMBL21867940 0.80 MEN1 (0.40) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL19735651 0.79 MEN1 (0.36) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL21867968 0.79 KMT2A (0.39) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL21152428 0.79 MEN1 (0.45) MEN1KMT2AATMMAPTADORA2A

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-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed