SCHEMBL24099702

SCHEMBL24099702

COC(=O)c1cc(OCCBr)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
S1PR4 O95977 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL28606015 0.86 POLB (0.46) MEN1KMT2APDGFRBFGFR1PDGFRA
SCHEMBL2589956 0.83 LMNA (0.52) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL19557493 0.82 ALDH1A1 (0.45) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL1785981 0.81 MEN1 (0.47) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL2794810 0.80 MAPT (0.49) MEN1KMT2AMAPTRAB9AS1PR4
SCHEMBL2795160 0.79 TDP1 (0.46) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL1787152 0.77 LMNA (0.52) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL19035920 0.76 HTT (0.43) TDP1MEN1KMT2APDGFRBFGFR1
SCHEMBL24100428 0.76 TDP1 (0.51) TDP1MEN1KMT2AKDM4EPDGFRB
SCHEMBL2903296 0.75 TDP1 (0.53) TDP1MEN1KMT2AKDM4EPDGFRB

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed