SCHEMBL9302791

SCHEMBL9302791

O=S(=O)(NN1CCOCC1)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.51
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
PHGDH O43175 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL9671638 0.74 HSD17B10 (0.66) HPGDGAAKDM4ESMN1; SMN2PKM
SCHEMBL9302802 0.74 LMNA (0.53) HPGDGAAKDM4ETSHRSMN1; SMN2
SCHEMBL9303064 0.74 PTAFR (0.52) ATMPIK3CDPIK3CBPHGDHALDH1A1
Hydrochloric Acid SCHEMBL8600518 0.72 HPGD (0.56) HPGDGAAKDM4ETSHRPIK3CD
SCHEMBL2227656 0.72 PHGDH (0.71) GAAKDM4ETSHRSMN1; SMN2PHGDH
Bendazol SCHEMBL27823120 0.70 GAA (0.96) HPGDGAAKDM4ETSHRSMN1; SMN2
Bendazol SCHEMBL28197265 0.70 GAA (0.77) GAATSHRSMN1; SMN2PKMKMT2A
SCHEMBL5161575 0.69 PHGDH (0.62) GAAKDM4ETSHRSMN1; SMN2PHGDH
Bendazol SCHEMBL29539948 0.69 GAA (1.00) HPGDGAAKDM4ETSHRSMN1; SMN2
Bendazol SCHEMBL309393 0.69 GAA (1.00) HPGDGAAKDM4ETSHRSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed