SCHEMBL7805166

SCHEMBL7805166

[c]1ccc2c(c1)ncn2Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.66
CYP11B2 P19099 8/20 0.66
TNF P01375 1/20 0.66
HTT P42858 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ERBB2 P04626 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR1I2 O75469 2/20 0.43

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
SCHEMBL7814283 0.88 CYP11B1 (0.66) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3962695 0.81 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL28711279 0.80 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL230002 0.80 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31357411 0.80 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL9557677 0.77 NPC1 (0.41) CYP11B1CYP11B2HTTSMN1; SMN2LMNA
SCHEMBL13907295 0.74 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL27839811 0.74 CYP11B1 (0.87) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL27699770 0.74 CYP11B1 (0.87) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL28610944 0.73 CYP11B1 (0.84) CYP11B1CYP11B2TNFHTTSMN1; 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
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed