SCHEMBL29488293

SCHEMBL29488293

COCCOCOc1ccc(Br)cc1COB(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR5 P51681 4/20 0.37
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 5/20 0.36
LMNA P02545 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 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 0.84 KMT2A (0.39) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL29488294 0.84 KMT2A (0.39) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28373098 0.81 ALDH1A1 (0.39) KMT2AALDH1A1MEN1CCR5F2
SCHEMBL20565444 0.75 CCR5 (0.44) ALDH1A1CYP1A2CCR5F2ELANE
SCHEMBL13642025 0.75 KDM4E (0.50) KMT2AALDH1A1MEN1F2ELANE
SCHEMBL28367568 0.74 HPGD (0.36) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3372566 0.73 KDM4E (0.49) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13419786 0.73 PTGDR2 (0.50) KMT2AALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL28686804 0.72 CCR5 (0.46) KMT2AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL29488290 0.72 CCR5 (0.46) KMT2AALDH1A1MEN1CYP1A2CYP3A4

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-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 claimed
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