SCHEMBL30139028

SCHEMBL30139028

COC(=O)c1cc(Br)cc2[nH]c(CCl)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 1/20 0.39
PKN1 Q16512 2/20 0.38
PKN2 Q16513 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
NR4A2 P43354 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RIPK1 Q13546 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL26631562 1.00 PTGES (0.40) PTGESKDM4EMAPTALDH1A1DHODH
SCHEMBL26631533 0.83 DHODH (0.54) KDM4EDHODHPKN1PKN2
SCHEMBL23925332 0.82 RNASEH1 (0.50) PTGESKDM4EMAPTALDH1A1DHODH
SCHEMBL30242145 0.81 DHODH (0.44) MAPTDHODHPKN1PKN2MMP2
SCHEMBL20482842 0.81 DHODH (0.44) MAPTDHODHPKN1PKN2MMP2
SCHEMBL15808917 0.80 PRMT5 (0.41) KDM4EMAPTALDH1A1PRMT5WDR77
SCHEMBL29025404 0.79 MAPT (0.41) PTGESKDM4EMAPTALDH1A1MMP2
SCHEMBL6841804 0.78 PKN1 (0.57) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL30138975 0.76 KDM4E (0.51) KDM4EALDH1A1DHODHPKN1PKN2
SCHEMBL26631538 0.76 KDM4E (0.51) KDM4EALDH1A1DHODHPKN1PKN2

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-115485266-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed