SCHEMBL9678752

SCHEMBL9678752

CCN(CC)c1ccccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
HPGD P15428 3/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
ALDH1A1 P00352 1/20 0.61
BCHE P06276 1/20 0.54
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51

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
SCHEMBL9678412 0.93 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL6483534 0.86 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10478297 0.86 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10703839 0.86 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10701467 0.84 CYP2E1 (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10869688 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL10701037 0.81 CYP2E1 (0.48) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL3377470 0.80 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL9675826 0.77 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HPGDNFKB1
SCHEMBL12604487 0.76 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HPGDNFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP disclosed