SCHEMBL27735366

SCHEMBL27735366

O=C(O)c1sc([N+](=O)[O-])cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR35 Q9HC97 2/20 0.36
TPMT P51580 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 1/20 0.36
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR2 O43603 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MPI P34949 1/20 0.34
HTT P42858 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
STAT3 P40763 3/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL11923425 0.83 USP47 (0.37) GPR35RAB9AALDH1A1SMN1; SMN2GALR2
SCHEMBL4311290 0.81 TSHR (0.43) GPR35RAB9ATDP1ALDH1A1SMN1; SMN2
SCHEMBL16737121 0.79 GPR35 (0.36) GPR35ESR2RAB9ACASP6TDP1
SCHEMBL2978000 0.79 COMT (0.49) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL11185663 0.77 LMNA (0.40) ESR2RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL10639290 0.71 LMNA (0.40) GPR35RAB9ATDP1TP53ALDH1A1
SCHEMBL5150863 0.70 GPR35 (0.42) CA1CA2GPR35TDP1TP53
SCHEMBL1845547 0.70 ALDH1A1 (0.33) ESR2RAB9AALDH1A1MAPTLMNA
SCHEMBL31028467 0.69 MAPT (0.41) RAB9ATDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5726136 0.69 LMNA (0.40) RAB9ATDP1ALDH1A1SMN1; SMN2MAPT

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
CN-101331126-A Benzimidazole thiophene compounds as PLK modulators SMITHKLINE BEECHAM CORP (US) 2008-12-24 CN disclosed