SCHEMBL5506546

SCHEMBL5506546

Cc1nc2c3c(c(C(O)=S)cc2n1C)CC[C@@H](c1ccccc1)O3

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HSD11B1 P28845 2/20 0.30

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
SCHEMBL5511902 0.90 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL5511615 0.90 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL5507104 0.90 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL4663178 0.90 DHODH (0.36) ATP4AATP4BRAB9AHSD11B1
SCHEMBL6020045 0.90 DHODH (0.36) ATP4AATP4BRAB9AHSD11B1
SCHEMBL6019450 0.90 DHODH (0.36) ATP4AATP4BRAB9AHSD11B1
SCHEMBL5511930 0.89 ATP4A (0.33) ATP4AATP4BRAB9A
SCHEMBL5508133 0.89 RAB9A (0.35) ATP4AATP4BRAB9AHSD11B1
SCHEMBL5508128 0.89 RAB9A (0.35) ATP4AATP4BRAB9AHSD11B1
SCHEMBL4666543 0.88 RAB9A (0.35) ATP4AATP4BRAB9AHSD11B1

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-1863820-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES Nycomed GmbH (DE) 2007-12-12 EP claimed
WO-2006100255-A1 THIOAMIDE-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISEASES NYCOMED GMBH (DE) 2006-09-28 WO claimed