SCHEMBL9302802

SCHEMBL9302802

O=S(=O)(NC1CCCCC1)c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.49
PKM P14618 1/20 0.48
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
BRD4 O60885 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL30260298 0.81 KDM4E (0.56) LMNAGAASMN1; SMN2HPGDALDH1A1
SCHEMBL24170601 0.81 KDM4E (0.56) LMNAGAASMN1; SMN2HPGDALDH1A1
SCHEMBL9302884 0.79 PTAFR (0.59) LMNAGAASMN1; SMN2HPGDALDH1A1
SCHEMBL9302835 0.78 HPGD (0.61) LMNAGAASMN1; SMN2HPGDALDH1A1
SCHEMBL10466108 0.77 L3MBTL1 (0.51) LMNAGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9671638 0.76 HSD17B10 (0.66) LMNAGAASMN1; SMN2HPGDALDH1A1
SCHEMBL9302791 0.74 HPGD (0.51) GAASMN1; SMN2HPGDALDH1A1CYP3A4
SCHEMBL24169940 0.72 RIPK1 (0.46) GAAHPGDALDH1A1TSHRKDM4E
SCHEMBL9303746 0.72 PTAFR (0.67) SMN1; SMN2ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL7338280 0.72 LMNA (0.75) LMNAGAASMN1; SMN2ALDH1A1KDM4E

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