SCHEMBL27423398

SCHEMBL27423398

COC(=O)c1ccc2[nH]c(Br)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
RHEB Q15382 1/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CREBBP Q92793 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL30974167 0.90 SIRT2 (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL28396605 0.88 HTT (0.64) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1170648 0.84 KDM4E (0.61) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL5032566 0.83 HSP90AA1 (0.53) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2098919 0.83 KDM4E (0.51) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2759988 0.82 KDM4E (0.48) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29488678 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1193316 0.82 RHEB (0.54) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1202574 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL18782890 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1

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-2024129780-A1 BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS SONATA THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed