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SCHEMBL22487380

SCHEMBL22487380

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c4oc5ccccc5c34)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ESR2 Q92731 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PRKDC P78527 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
SCHEMBL22486213 0.98 TSHR (0.31) MAPTTSHRPRKDC
SCHEMBL22486249 0.95 PRKDC (0.31) PRKDC
SCHEMBL22487393 0.94 MAPT (0.33) MAPTTSHRESR2KDM4ELMNA
SCHEMBL24740370 0.92 PRKDC (0.32) PRKDC
SCHEMBL22486210 0.92 MAPT (0.32) MAPTTSHRESR2KDM4ELMNA
SCHEMBL27016313 0.91 PRKDC (0.35) MAPTTSHRKDM4ELMNAMAPK1
SCHEMBL24739327 0.90 PRKDC (0.35) ESR2PRKDC
SCHEMBL23623457 0.90 PRKDC (0.31) PRKDC
SCHEMBL22487392 0.90 TSHR (0.32) MAPTTSHRPRKDC
SCHEMBL24739360 0.89 PRKDC (0.33) PRKDC

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-2020197253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-10-01 — — WO disclosed