SCHEMBL29246782

SCHEMBL29246782

COc1c(Br)cccc1CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 1/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 2/20 0.33

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
SCHEMBL1364220 0.82 MEN1 (0.41) MEN1KMT2AIDO1LMNABLM
SCHEMBL30525679 0.82 MEN1 (0.41) MEN1KMT2AIDO1LMNABLM
SCHEMBL23536830 0.82 GABRA1 (0.52) MEN1KMT2AIDO1LMNABLM
SCHEMBL560920 0.80 IDO1 (0.42) MEN1KMT2AIDO1HTR2AHTR2C
SCHEMBL31142935 0.80 IDO1 (0.42) MEN1KMT2AIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL29853016 0.80 IDO1 (0.42) MEN1KMT2AIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL23218712 0.80 IDO1 (0.42) MEN1KMT2AIDO1HTR2AHTR2C
SCHEMBL7663813 0.80 MEN1 (0.43) MEN1KMT2AIDO1LMNAHTR2A
SCHEMBL560783 0.80 MEN1 (0.43) MEN1KMT2AIDO1LMNAHTR2A
SCHEMBL364729 0.78 ALDH1A1 (0.46) MEN1KMT2ANQO2KDM4EALDH1A1

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-118307540-B Synthesis method of avibactam sodium 浙江尖峰药业有限公司 2024-10-15 CN disclosed
CN-118307540-A Synthesis method of avibactam sodium 浙江尖峰药业有限公司 2024-07-09 CN disclosed