SCHEMBL12495358

SCHEMBL12495358

CCS(=O)(=O)c1ccc(CC(N)=O)cc1-c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NTRK1 P04629 1/20 0.35
CHEK2 O96017 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ADRB2 P07550 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5693323 0.74 CA2 (0.41) LOXL2SMN1; SMN2ADRB2HPGDNPC1
SCHEMBL28835088 0.73 LOXL2 (0.62) LOXL2CHEK2ADRB2PTGDR2FFAR1
Hydrochloric Acid SCHEMBL20899882 0.73 CA2 (0.40) LOXL2ADRB2HPGDNPC1RAB9A
SCHEMBL4611702 0.70 PSIP1 (0.41) LMNAMAPK1ALDH1A1POLBKDM4E
SCHEMBL3121483 0.68 GABRP (0.41) LMNAMAPK1ALDH1A1POLBKDM4E
SCHEMBL28816427 0.67 LOXL2 (0.45) LOXL2CHEK2ADRB2PTGDR2KAT6A
SCHEMBL28051301 0.67 LOXL2 (0.53) LOXL2MAPK1ALDH1A1CHEK2THRA
SCHEMBL16880298 0.66 PSIP1 (0.47) LMNAMAPK1ALDH1A1POLBKDM4E
SCHEMBL5989736 0.66 THRA (0.46) LOXL2SMN1; SMN2ALDH1A1THRATHRB
SCHEMBL30130504 0.65 ALDH1A1 (0.39) LOXL2LMNASMN1; SMN2ALDH1A1CHEK2

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-2012100734-A1 COMPOUNDS USEFUL AS RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed