SCHEMBL21743580

SCHEMBL21743580

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)c3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
MCL1 Q07820 2/20 0.33
RAB9A P51151 1/20 0.33
MYC P01106 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
CTRC Q99895 1/20 0.32
PDK2 Q15119 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL21743599 1.00 CYP19A1 (0.35) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743604 0.96 CYP19A1 (0.38) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743603 0.96 CYP19A1 (0.38) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743608 0.94 CYP19A1 (0.35) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743602 0.94 CYP19A1 (0.35) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743582 0.90 MEN1 (0.44) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21743605 0.90 CYP19A1 (0.37) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743598 0.90 CYP19A1 (0.37) CYP19A1KMT2AMEN1KDM4EMAPT
SCHEMBL21743392 0.89 MEN1 (0.41) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21743596 0.89 MEN1 (0.41) KMT2AMEN1KDM4EMAPTALDH1A1

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