SCHEMBL26492004

SCHEMBL26492004

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.61
▸ PIN1 Q13526 1/20 0.38
▸ PDE4B Q07343 4/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ CCR4 P51679 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL26486334 0.92 CASR (0.61) CASRPIN1PDE4BTP53PGR
SCHEMBL26492006 0.88 CASR (0.49) CASRPIN1PDE4BTP53PGR
SCHEMBL26486327 0.86 CASR (0.47) CASRPIN1PDE4BTP53PGR
SCHEMBL26486331 0.85 CASR (0.47) CASRPIN1PDE4BTP53PGR
SCHEMBL26486241 0.84 CASR (0.49) CASRPIN1PDE4BTP53PGR
SCHEMBL29832406 0.83 CASR (0.55) CASRPDE4BTP53PGRRORA
SCHEMBL26492009 0.83 CASR (0.48) CASRPIN1PDE4BTP53PGR
SCHEMBL26106598 0.83 CASR (0.55) CASRPDE4BTP53PGRRORA
SCHEMBL26491602 0.83 CASR (0.53) CASRTP53KDM4EALDH1A1MEN1
SCHEMBL26486238 0.83 CASR (0.48) CASRPIN1PDE4BTP53PGR

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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