SCHEMBL28974281

SCHEMBL28974281

CC(=NO)c1ccc(Br)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ALDH2 P05091 1/20 0.50
ALDH1A3 P47895 1/20 0.50
ALDH1A1 P00352 2/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.36
SLC2A1 P11166 1/20 0.36
CA9 Q16790 2/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL8809751 0.80 KMT2A (1.00) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL4306902 0.80 KMT2A (1.00) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL4306904 0.80 KMT2A (1.00) MEN1KMT2AALDH1A1USP2LMNA
SCHEMBL17750100 0.78 MEN1 (0.69) MEN1KMT2AUSP2LMNAALOX15
SCHEMBL3304132 0.78 ALDH2 (0.47) MEN1KMT2AALDH2ALDH1A3ALOX15
SCHEMBL2144787 0.78 ALDH2 (0.47) MEN1KMT2AALDH2ALDH1A3ALOX15
SCHEMBL3304135 0.78 ALDH2 (0.47) MEN1KMT2AALDH2ALDH1A3ALOX15
SCHEMBL24758381 0.77 ALDH2 (0.46) MEN1KMT2AALDH2ALDH1A3ESR1
SCHEMBL28905087 0.77 DGAT1 (0.52) MEN1KMT2AALDH2ALDH1A3ALDH1A1
SCHEMBL332423 0.76 ALDH1A1 (0.50) MEN1KMT2AALDH1A1FLT1FLT4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867535-B Substituted benzamides as modulators of TREX1 星座制药公司 2024-12-17 CN disclosed
EP-4157821-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2023-04-05 EP disclosed
CN-115867535-A Substituted benzamides as modulators of TREX1 星座制药公司 2023-03-28 CN disclosed