SCHEMBL23285102

SCHEMBL23285102

Clc1nc(-c2ccc(C34C[C@@H]5CC6C[C@@H](C3)[C@@]6(C5)C4)cc2)nc(-c2cccc3c2oc2ccccc23)n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ TSHR P16473 3/20 0.31
▸ LMNA P02545 3/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL26272596 0.86 ALOX5 (0.37) ALOX5CCNCCDK8TSHRLMNA
SCHEMBL26272359 0.81 ALOX5 (0.41) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL23311576 0.80 ALOX5 (0.34) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL26271532 0.80 ALOX5 (0.43) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL26271566 0.80 ALOX5 (0.40) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL23285055 0.79 GRIN2D (0.31) LMNAMEN1ALDH1A1KMT2A
SCHEMBL26271534 0.78 ALOX5 (0.39) ALOX5CCNCCDK8TSHRLMNA
SCHEMBL26277260 0.77 ALOX5 (0.40) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL26272255 0.77 HTT (0.42) ALOX5TSHRLMNAKDM4EMAPT
SCHEMBL26271495 0.77 ALOX5 (0.40) ALOX5TSHRLMNAKDM4EMAPT

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-2021080254-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-04-29 — — WO disclosed
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