SCHEMBL29404196

SCHEMBL29404196

CCC(=O)c1c(Br)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
KMT2A Q03164 4/20 0.43
F2R P25116 1/20 0.43
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 1/20 0.40
FABP4 P15090 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CLCN2 P51788 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 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
SCHEMBL28510287 0.87 ALDH1A1 (0.48) KMT2AMEN1HPGDALDH1A1ALOX15
SCHEMBL241422 0.81 PRNP (0.56) PRNPKMT2AHPGDALDH1A1ALOX15
SCHEMBL29540504 0.81 PRNP (0.56) PRNPKMT2AHPGDALDH1A1ALOX15
SCHEMBL29480937 0.80 TSHR (0.56) KMT2AF2RMEN1HPGDALDH1A1
SCHEMBL28808058 0.79 ALDH1A1 (0.44) KMT2AHPGDALDH1A1ALOX15HSD17B10
SCHEMBL6272437 0.79 PRNP (0.47) PRNPKMT2AHPGDALDH1A1ALOX15
SCHEMBL28652440 0.78 CA12 (0.54) PRNPKMT2AF2RMEN1HPGD
SCHEMBL27721559 0.76 CES2 (0.47) KMT2AF2RMEN1HPGDALDH1A1
SCHEMBL31582514 0.76 PRNP (0.45) PRNPKMT2AHPGDALDH1A1ALOX15
SCHEMBL27596818 0.76 F2R (0.46) PRNPKMT2AF2RMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174278-B Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2024-08-23 CN disclosed
CN-114174278-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-03-11 CN disclosed
EP-3956320-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2022-02-23 EP disclosed