SCHEMBL29488294

SCHEMBL29488294

COCCOCOc1ccc(Br)cc1CB(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 4/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL28367653 1.00 KMT2A (0.39) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL29488293 0.84 KMT2A (0.39) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL28373098 0.83 ALDH1A1 (0.39) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL20565444 0.77 CCR5 (0.44) F2ELANEALDH1A1SMN1; SMN2LMNA
SCHEMBL13642025 0.77 KDM4E (0.50) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL28686804 0.76 CCR5 (0.46) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL29488290 0.76 CCR5 (0.46) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL28367568 0.76 HPGD (0.36) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL13419786 0.75 PTGDR2 (0.50) KMT2AF2ELANEKDM4EALDH1A1
SCHEMBL8559282 0.73 PTGDR2 (0.54) KMT2AF2ELANEKDM4EALDH1A1

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
CN-110746345-B Synthesis method of 2- (2-amino-5-bromo-benzoyl) pyridine 苏州永健生物医药有限公司 2022-03-04 CN disclosed
CN-110746345-B Synthesis method of 2- (2-amino-5-bromo-benzoyl) pyridine 苏州永健生物医药有限公司 2022-03-04 CN disclosed