SCHEMBL28686804

SCHEMBL28686804

COCCOCOc1ccc(Br)cc1Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.46
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
SYK P43405 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29488290 1.00 CCR5 (0.46) CCR5F2ELANEHTR2AHTR2C
SCHEMBL20565444 0.83 CCR5 (0.44) CCR5F2ELANECYP1A2LMNA
SCHEMBL28373098 0.78 ALDH1A1 (0.39) CCR5F2ELANEMEN1KMT2A
SCHEMBL28367653 0.76 KMT2A (0.39) F2ELANEMEN1KMT2AKDM4E
SCHEMBL29488294 0.76 KMT2A (0.39) F2ELANEMEN1KMT2AKDM4E
SCHEMBL29488295 0.74 RAB9A (0.51) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13642025 0.72 KDM4E (0.50) F2ELANEMEN1KMT2AKDM4E
SCHEMBL29488293 0.72 KMT2A (0.39) CCR5F2ELANEMEN1KMT2A
SCHEMBL28367568 0.71 HPGD (0.36) F2ELANEMEN1KMT2AKDM4E
SCHEMBL29320859 0.70 CCR5 (0.49) CCR5CYP1A2LMNAALDH1A1HTT

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