SCHEMBL26486334

SCHEMBL26486334

CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3c(C(C)C)cccc3C(C)C)cccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.61
▸ PIN1 Q13526 1/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL26492004 0.92 CASR (0.61) CASRPIN1PDE4BPGRRORA
SCHEMBL26106598 0.91 CASR (0.55) CASRPDE4BPGRRORARORC
SCHEMBL29832406 0.91 CASR (0.55) CASRPDE4BPGRRORARORC
SCHEMBL26486241 0.88 CASR (0.49) CASRPIN1PDE4BPGRRORA
SCHEMBL26492006 0.84 CASR (0.49) CASRPIN1PDE4BPGRRORA
SCHEMBL26492001 0.83 CASR (0.45) CASRPIN1PDE4BPGRRORA
SCHEMBL26486238 0.83 CASR (0.48) CASRPIN1PDE4BPGRRORA
SCHEMBL26490874 0.82 CASR (0.45) CASRPGRRORARORCRORB
SCHEMBL26486327 0.82 CASR (0.47) CASRPIN1PDE4BPGRRORA
SCHEMBL26492009 0.82 CASR (0.48) CASRPIN1PDE4BPGRRORA

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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