SCHEMBL29089727

SCHEMBL29089727

COC(=O)c1cc(Br)c(F)c(C(F)(F)F)c1CBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.59
NOTUM Q6P988 2/20 0.40
CFTR P13569 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.31
PTPN2 P17706 1/20 0.31
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
NR4A2 P43354 1/20 0.31
TSHR P16473 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL29841615 1.00 SOS1 (0.59) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL29192882 0.84 SOS1 (0.48) SOS1NOTUMKDM4EKMT2ACCR6
SCHEMBL30825403 0.84 SOS1 (0.48) SOS1NOTUMKDM4EKMT2ACCR6
SCHEMBL29841573 0.81 SOS1 (0.63) SOS1NOTUMCFTRMRGPRX4KMT2A
SCHEMBL29089686 0.81 SOS1 (0.63) SOS1NOTUMCFTRMRGPRX4KMT2A
SCHEMBL23065962 0.77 NOTUM (0.50) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL2295241 0.75 SOS1 (0.58) SOS1NOTUMCFTRMRGPRX4KDM4E
SCHEMBL3410570 0.75 SOS1 (0.41) SOS1NOTUMKDM4EKMT2ACCR6
SCHEMBL30296812 0.75 SOS1 (0.41) SOS1NOTUMKDM4EKMT2ACCR6
SCHEMBL21200958 0.74 NOTUM (0.50) SOS1NOTUMCFTRNR4A2ALDH1A1

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-116888112-A Lactams as CBL-B inhibitors 基因泰克公司 2023-10-13 CN disclosed