SCHEMBL28984841

SCHEMBL28984841

CN(c1ccc(Br)cc1)c1ccc(O)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MYC P01106 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL28986942 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28984834 0.79 ALOX15 (0.41) MCL1TSHRALDH1A1HSD17B10MAPT
SCHEMBL472317 0.77 ALDH1A1 (0.57) MCL1CA12CA1CA2CA7
SCHEMBL28984819 0.76 HSD17B10 (0.39) CA12CA1CA2CA7CA9
SCHEMBL28984839 0.76 ALOX15 (0.39) TSHRALDH1A1HSD17B10MAPTMEN1
SCHEMBL28984846 0.76 RXRA (0.46) CA12CA1CA2CA7CA9
SCHEMBL28684392 0.74 CSNK2A1 (0.50) MCL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28984844 0.74 MAOB (0.44) CA1CA2ALOX5PTGS2ALDH1A1
SCHEMBL29698599 0.74 SMN1; SMN2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL25355933 0.72 ALOX15 (0.62) CA12CA1CA2CA9CA14

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-114805093-B Preparation method of diarylamines 暨南大学 2023-04-25 CN disclosed
CN-114805093-A Preparation method of diarylamine compound 暨南大学 2022-07-29 CN disclosed