SCHEMBL6020045

SCHEMBL6020045

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
RAB9A P51151 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
HSD11B1 P28845 2/20 0.32
SLC8A1 P32418 5/20 0.32
MAPT P10636 1/20 0.32
PIK3C2B O00750 2/20 0.31
CYP19A1 P11511 1/20 0.31
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6019450 1.00 DHODH (0.36) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL4663178 1.00 DHODH (0.36) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL4666543 0.92 RAB9A (0.35) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL5506550 0.92 RAB9A (0.35) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL5506543 0.92 RAB9A (0.35) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL4662902 0.90 RIPK1 (0.36) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL4664616 0.90 RIPK1 (0.36) DHODHRAB9AATP4AATP4BHSD11B1
SCHEMBL4664869 0.90 MEN1 (0.39) RAB9ASLC8A1MEN1KMT2A
SCHEMBL5116463 0.90 RAB9A (0.36) RAB9AATP4AATP4BSLC8A1
SCHEMBL4664655 0.90 RAB9A (0.36) RAB9AATP4AATP4BSLC8A1

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-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed