SCHEMBL31042998

SCHEMBL31042998

COC(=O)Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
RIPK1 Q13546 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK8 P45983 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL965852 1.00 KMT2A (0.51) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL5099244 0.86 KMT2A (0.47) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL1554320 0.86 KDM4E (0.53) KDM4ETSHRALDH1A1MAPTPOLB
SCHEMBL15056307 0.84 KDM4E (0.44) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL2060569 0.84 KDM4E (0.44) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL265432 0.82 CTBP2 (0.51) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL30522283 0.82 CTBP2 (0.51) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL5903219 0.82 KDM4E (0.43) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL286702 0.82 KMT2A (0.48) KMT2AKDM4ETSHRALDH1A1MEN1
SCHEMBL31284578 0.82 KDM4E (0.43) KMT2AKDM4ETSHRALDH1A1MEN1

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
EP-4658647-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2025-12-10 EP disclosed
WO-2024160722-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2024-08-08 WO disclosed