SCHEMBL9059883

SCHEMBL9059883

C=C(N)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CASP1 P29466 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
GABRA1 P14867 6/20 0.45
GABRG2 P18507 6/20 0.45
GABRB3 P28472 6/20 0.45
GABRB2 P47870 4/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL9668242 0.79 SMN1; SMN2 (0.57) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL31162470 0.79 SMN1; SMN2 (0.57) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL29444184 0.79 TSHR (0.56) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL674136 0.79 TSHR (0.56) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL31016399 0.77 TSHR (0.54) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL29506761 0.77 SMN1; SMN2 (0.65) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL2026918 0.77 TSHR (0.54) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL325007 0.77 SMN1; SMN2 (0.65) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL13689698 0.77 MEN1 (0.59) TSHRSMN1; SMN2CASP1MAPTKDM4E
SCHEMBL19350065 0.77 TSHR (0.54) TSHRSMN1; SMN2CASP1MAPTKDM4E

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
JP-8295661-A None JP disclosed
JP-H08295661-A AMIDE COMPOUND AND ITS USE SUMITOMO CHEM CO LTD 1996-11-12 JP disclosed