SCHEMBL26492006

SCHEMBL26492006

CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3ccccc3C)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.49
▸ TLR8 Q9NR97 1/20 0.42
▸ PIN1 Q13526 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ RORA P35398 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ RORB Q92753 1/20 0.40
▸ PDE4B Q07343 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL26486241 0.92 CASR (0.49) CASRTLR8PIN1TP53PGR
SCHEMBL29832325 0.91 CASR (0.43) CASRTLR8TP53PGRRORA
SCHEMBL26106624 0.91 CASR (0.43) CASRTLR8TP53PGRRORA
SCHEMBL26486327 0.90 CASR (0.47) CASRTLR8PIN1TP53PGR
SCHEMBL26486331 0.89 CASR (0.47) CASRPIN1TP53PGRRORA
SCHEMBL26492004 0.88 CASR (0.61) CASRTLR8PIN1TP53PGR
SCHEMBL26486238 0.86 CASR (0.48) CASRTLR8PIN1TP53PGR
SCHEMBL26492009 0.85 CASR (0.48) CASRPIN1TP53PGRRORA
SCHEMBL26491993 0.84 CASR (0.46) CASRTLR8PIN1TP53PGR
SCHEMBL26486334 0.84 CASR (0.61) CASRTLR8PIN1TP53PGR

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-2022183008-A9 AMINO-BENZIMIDAZOLE CATALYSTS FOR THE PREPARATION OF POLYOLEFINS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-10-12 — — WO disclosed
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