SCHEMBL25522053

SCHEMBL25522053

CC(CCC(C)c1ncc(-c2c(Cl)cc3c(O)ncnc3c2F)cc1O)c1ncc(-c2cc3c(O)ncnc3cc2F)cc1O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ KRAS P01116 1/20 0.30
▸ HMOX2 P30519 1/20 0.30
▸ CRYZ Q08257 1/20 0.30
▸ VAT1 Q99536 1/20 0.30
▸ RTN4 Q9NQC3 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
SCHEMBL25524049 0.81 EGFR (0.36) EGFRKRASHMOX2CRYZVAT1
SCHEMBL25524048 0.78 IRAK4 (0.33) TNFEGFR
SCHEMBL25521670 0.71 KRAS (0.36) EGFRKRASHMOX2CRYZVAT1
SCHEMBL25521668 0.68 EGFR (0.31) TNFEGFR
SCHEMBL25519676 0.66 — —
SCHEMBL25083210 0.61 EGFR (0.38) EGFRKRASHMOX2CRYZVAT1
SCHEMBL22336561 0.61 KRAS (0.53) EGFRKRASHMOX2CRYZVAT1
SCHEMBL25777825 0.59 KRAS (0.52) EGFRKRASHMOX2CRYZVAT1
SCHEMBL18128619 0.59 KRAS (0.44) EGFRKRASHMOX2CRYZVAT1
SCHEMBL24037705 0.58 KDR (0.41) EGFR

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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