SCHEMBL29055652

SCHEMBL29055652

CCCCCCc1ccc2c(c1)C(Br)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SHBG P04278 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41
HIF1A Q16665 1/20 0.41
TST Q16762 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8581244 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTPPARAPPARG
SCHEMBL29242122 0.73 PTGS2 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL31351356 0.73 PTGS2 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29055666 0.72 MAPT (0.41) LMNATP53KDM4EALDH1A1MAPT
SCHEMBL9112917 0.70 MAOB (0.71) ALDH1A1KAT8
SCHEMBL5323142 0.70 MAOB (0.71) ALDH1A1KAT8
SCHEMBL9096300 0.70 MAOB (0.71) ALDH1A1KAT8
SCHEMBL24037195 0.69 PTGS2 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6681490 0.69 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4037557 0.69 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606237-A Synthesis method of tryptophan derivative 上海吉奉生物科技有限公司 2023-08-18 CN disclosed