SCHEMBL21743399

SCHEMBL21743399

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4S5)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.44
KMT2A Q03164 10/20 0.44
HPGD P15428 9/20 0.44
ALDH1A1 P00352 9/20 0.44
MAPT P10636 8/20 0.44
NTSR1 P30989 1/20 0.44
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL21743582 0.95 MEN1 (0.44) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743387 0.95 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743631 0.95 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743382 0.95 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743392 0.94 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743596 0.94 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743376 0.94 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743642 0.92 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743604 0.91 CYP19A1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21743371 0.91 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT

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