SCHEMBL9302980

SCHEMBL9302980

CCOC(=O)c1cccc(Cn2cnc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.62
CYP11B2 P19099 5/20 0.62
ALDH1A1 P00352 1/20 0.62
IDO1 P14902 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
RECQL P46063 1/20 0.56
MAPK10 P53779 1/20 0.56
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
TNF P01375 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CDYL2 Q8N8U2 1/20 0.50
CDYL Q9Y232 1/20 0.50
CDY1; CDY1B Q9Y6F8 1/20 0.50
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49

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
SCHEMBL13085846 0.88 IDO1 (0.64) CYP11B1CYP11B2ALDH1A1IDO1MAPK10
SCHEMBL9302833 0.87 SMN1; SMN2 (0.73) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL10467937 0.87 SMN1; SMN2 (0.47) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL10468107 0.87 CYP4F2 (0.48) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL1608602 0.85 SMN1; SMN2 (0.60) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL2885662 0.83 CYP11B1 (0.67) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL9304028 0.81 TNF (0.51) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL9303216 0.81 TNF (0.51) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL9301804 0.80 SMN1; SMN2 (0.50) CYP11B1CYP11B2ALDH1A1IDO1SMN1; SMN2
SCHEMBL12531261 0.80 CYP11B1 (0.74) CYP11B1CYP11B2ALDH1A1IDO1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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