SCHEMBL9304028

SCHEMBL9304028

CCOC(=O)c1ccc(Cn2cnc3ccccc32)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RECQL P46063 1/20 0.51
MAPK10 P53779 1/20 0.51
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
IDO1 P14902 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
MAPK1 P28482 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
SCHEMBL9303216 0.87 TNF (0.51) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL9301804 0.86 SMN1; SMN2 (0.50) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL27361777 0.84 PPARG (0.50) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL9302833 0.82 SMN1; SMN2 (0.73) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL9302980 0.81 CYP11B1 (0.62) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL1608602 0.77 SMN1; SMN2 (0.60) TNFSMN1; SMN2RECQLMAPK10CYP11B1
SCHEMBL3534949 0.75 HDAC1 (0.54) TNFHDAC1HDAC6IDO1
SCHEMBL16599460 0.74 CA12 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL9126131 0.74 RAB9A (0.57) SMN1; SMN2RECQLMAPK10HDAC1NPSR1
SCHEMBL7212277 0.73 CYP11B1 (0.67) TNFSMN1; SMN2CYP11B1CYP11B2HDAC1

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