SCHEMBL28645960

SCHEMBL28645960

Cc1cc(F)c(OC(N)=O)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ AR P10275 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL29177402 0.85 MEN1 (0.36) MEN1KMT2ARAB9AARHTT
SCHEMBL29177199 0.84 MEN1 (0.35) MEN1KMT2ARAB9AHTTCYP4F2
SCHEMBL28892767 0.81 HTR2A (0.44) RAB9AARTSHRHTTAPOBEC3A
SCHEMBL29227718 0.79 MEN1 (0.32) MEN1KMT2ARAB9AHTTCYP4F2
SCHEMBL29177226 0.79 SMN1; SMN2 (0.35) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL29177188 0.79 LMNA (0.41) RAB9AARTSHRHTTLMNA
SCHEMBL29236517 0.79 IDO1 (0.33) MEN1KMT2AMAPTARDGAT1
SCHEMBL29177244 0.79 IRAK4 (0.38) MEN1KMT2ATSHR
SCHEMBL29177383 0.77 KIF11 (0.35) MEN1KMT2ACYP4F2CYP4A11KIF11
SCHEMBL28384779 0.77 NOTUM (0.39) MEN1KMT2AMAPTRAB9ANPC1

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-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 — — CN disclosed
CN-113264945-A Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-08-17 — — CN disclosed
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