SCHEMBL5035217

SCHEMBL5035217

Cc1nc2c(O)c(CCC(=O)c3ccccc3)ccn2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HSD11B1 P28845 4/20 0.38
GLA P06280 1/20 0.37
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL5032811 0.84 SMN1; SMN2 (0.57) ALDH1A1RAB9AHPGDSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL11050041 0.83 ATP4A (0.50) ALDH1A1HSD11B1ATP4AATP4BRAB9A
SCHEMBL5327618 0.78 GLA (0.38) ALDH1A1HSD11B1GLARAB9AHPGD
Bicarbonate SCHEMBL5984921 0.77 GLA (0.37) ALDH1A1HSD11B1GLARAB9AHPGD
SCHEMBL5322465 0.77 GLA (0.35) ALDH1A1HSD11B1GLARAB9AGSK3B
SCHEMBL5329533 0.74 CYP3A4 (0.36) ALDH1A1HSD11B1GLARAB9AHPGD
SCHEMBL4994479 0.74 KMT2A (0.36) ALDH1A1HSD11B1GLARAB9AHPGD
Bicarbonate SCHEMBL4976269 0.74 KMT2A (0.35) ALDH1A1HSD11B1GLARAB9AHPGD
SCHEMBL5330704 0.74 SMN1; SMN2 (0.43) ALDH1A1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL5327607 0.72 HSD11B1 (0.35) ALDH1A1HSD11B1GLARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US disclosed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP disclosed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO disclosed