SCHEMBL30893377

SCHEMBL30893377

CC(C)n1c(CBr)c(-c2noc(C3CC3)c2C(=O)OCc2ccccc2)c2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 6/20 0.39
▸ NR1H4 Q96RI1 14/20 0.35
▸ FABP1 P07148 2/20 0.35
▸ FABP4 P15090 1/20 0.33

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
SCHEMBL29182310 1.00 RET (0.39) RETNR1H4FABP1FABP4
SCHEMBL29182314 0.91 NR1H4 (0.35) RETNR1H4FABP1FABP4
SCHEMBL29182329 0.90 RET (0.49) RETNR1H4FABP1
SCHEMBL30893390 0.90 RET (0.49) RETNR1H4FABP1
SCHEMBL30893385 0.88 RET (0.41) RETNR1H4
SCHEMBL29182331 0.88 RET (0.41) RETNR1H4
SCHEMBL30893388 0.87 RET (0.37) RETNR1H4
SCHEMBL29182322 0.87 RET (0.37) RETNR1H4
SCHEMBL30893379 0.87 NR1H4 (0.37) NR1H4FABP1FABP4
SCHEMBL29182317 0.87 NR1H4 (0.37) NR1H4FABP1FABP4

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
CN-117813308-A Nitrogen-containing condensed ring compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-04-02 — — CN disclosed
Send feedback