SCHEMBL29512911

SCHEMBL29512911

C[C@H](Oc1cc(Br)ccc1C(=O)Cl)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
DHODH Q02127 11/20 0.39
SLC6A9 P48067 3/20 0.37
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL20107621 1.00 RORC (0.44) RORCDHODHSLC6A9SLC6A5
SCHEMBL28823359 1.00 RORC (0.44) RORCDHODHSLC6A9SLC6A5
SCHEMBL20107592 0.87 RORC (0.42) RORCDHODHSLC6A9
SCHEMBL21853435 0.87 RORC (0.42) RORCDHODHSLC6A9
SCHEMBL29512881 0.87 RORC (0.42) RORCDHODHSLC6A9
SCHEMBL30014395 0.84 NR4A2 (0.45) RORCDHODH
SCHEMBL29816317 0.81 MEN1 (0.35)
SCHEMBL20107853 0.81 MEN1 (0.35)
SCHEMBL21435678 0.79 DHODH (0.43) RORCDHODH
SCHEMBL20107634 0.79 DHODH (0.43) RORCDHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
CN-110248937-B 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2022-03-29 CN disclosed