SCHEMBL21743597

SCHEMBL21743597

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4C5(c4ccccc4)c4ccccc4)c3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RAB9A P51151 1/20 0.31
PDK2 Q15119 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21743612 0.99 CYP19A1 (0.33) CYP19A1MEN1KMT2ARAB9APDK2
SCHEMBL21743606 0.94 MEN1 (0.34) CYP19A1MEN1KMT2ARAB9APDK2
SCHEMBL21743595 0.93 CYP19A1 (0.35) CYP19A1MEN1KMT2ARAB9APDK2
SCHEMBL21743393 0.89 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL21743607 0.88 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL21743383 0.85 MEN1 (0.35) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL21743623 0.85 GP6 (0.31) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21743640 0.85 GP6 (0.31) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21743386 0.84 MEN1 (0.32) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL21743580 0.84 CYP19A1 (0.35) CYP19A1MEN1KMT2ARAB9APDK2

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