SCHEMBL29552192

SCHEMBL29552192

N#Cc1ccc(Br)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
AR P10275 2/20 0.42
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
EGLN2 Q96KS0 3/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL1798189 1.00 VCAM1 (0.44) VCAM1ARMEN1TTRALB
SCHEMBL31643336 0.84 MMP3 (0.45) MAOAMAOBCA2CA1CYP11B2
SCHEMBL13838518 0.82 VCAM1 (0.48) VCAM1ARMEN1TTRALB
SCHEMBL30905949 0.82 VCAM1 (0.48) VCAM1ARMEN1TTRALB
SCHEMBL825866 0.78 VCAM1 (0.53) VCAM1ARMAOAMAOBCA2
SCHEMBL11017920 0.78 MEN1 (0.52) MEN1TTRALBKMT2AMAOA
SCHEMBL16953707 0.77 MAPT (0.35) MEN1KMT2AALDH1A1
SCHEMBL6139748 0.77 MEN1 (0.36) MEN1KMT2ACA2CA1ALDH1A1
SCHEMBL10503015 0.77 VCAM1 (0.44) VCAM1ARMAOAMAOBTRPV4
SCHEMBL9348873 0.76 CYP11B1 (0.53) VCAM1ARMAOAMAOBCA2

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
WO-2022108222-A1 ORGANIC LIGHT-EMITTING MATERIAL AND DEVICE WHICH COMPRISE DIBENZO DERIVATIVE 단국대학교 천안캠퍼스 산학협력단 2022-05-27 WO disclosed