SCHEMBL9301804

SCHEMBL9301804

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TNF P01375 1/20 0.50
PPARG P37231 1/20 0.50
RECQL P46063 1/20 0.50
MAPK10 P53779 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
HSD17B2 P37059 1/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
CDYL2 Q8N8U2 1/20 0.47
CDYL Q9Y232 1/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 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
SCHEMBL9303216 0.86 TNF (0.51) SMN1; SMN2TNFPPARGRECQLMAPK10
SCHEMBL9304028 0.86 TNF (0.51) SMN1; SMN2TNFRECQLMAPK10MEN1
SCHEMBL27361777 0.83 PPARG (0.50) SMN1; SMN2TNFPPARGRECQLMAPK10
SCHEMBL9302833 0.81 SMN1; SMN2 (0.73) SMN1; SMN2TNFRECQLMAPK10CYP11B1
SCHEMBL9302980 0.80 CYP11B1 (0.62) SMN1; SMN2TNFRECQLMAPK10CYP11B1
SCHEMBL8951306 0.77 TLR7 (0.49) PPARGPKMGAAHDAC1HDAC6
SCHEMBL1608602 0.77 SMN1; SMN2 (0.60) SMN1; SMN2TNFRECQLMAPK10CYP11B1
SCHEMBL8951523 0.73 BRD4 (0.44) SMN1; SMN2PPARGMEN1KMT2AALDH1A1
SCHEMBL9126131 0.73 RAB9A (0.57) SMN1; SMN2PPARGRECQLMAPK10MEN1
SCHEMBL8992779 0.73 HSD17B2 (0.61) SMN1; SMN2MEN1KMT2AHSD17B2ALDH1A1

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 4 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
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