SCHEMBL26486331

SCHEMBL26486331

CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3ccccc3-c3ccccc3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.47
▸ PDE4B Q07343 5/20 0.44
▸ PIN1 Q13526 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ PGR P06401 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL26492006 0.89 CASR (0.49) CASRPDE4BPIN1TSHRTP53
SCHEMBL26486327 0.87 CASR (0.47) CASRPDE4BPIN1TP53KDM4E
SCHEMBL26486231 0.85 TLR8 (0.43) CASRPDE4BTSHRTP53KDM4E
SCHEMBL26492004 0.85 CASR (0.61) CASRPDE4BPIN1TSHRTP53
SCHEMBL26486241 0.85 CASR (0.49) CASRPDE4BPIN1TSHRTP53
SCHEMBL26486238 0.84 CASR (0.48) CASRPDE4BPIN1TP53KDM4E
SCHEMBL26490894 0.83 PGR (0.45) CASRPDE4BTP53ALDH1A1PGR
SCHEMBL26492009 0.82 CASR (0.48) CASRPDE4BPIN1TP53KDM4E
SCHEMBL26486334 0.81 CASR (0.61) CASRPDE4BPIN1TP53KDM4E
SCHEMBL26491993 0.81 CASR (0.46) CASRPDE4BPIN1TP53KDM4E

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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