SCHEMBL7005464

SCHEMBL7005464

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3nc4ccccc4s3)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
HPGD P15428 3/20 0.40
HSF1 Q00613 1/20 0.40
SLC16A1 P53985 6/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 4/20 0.40
AKR1B1 P15121 1/20 0.39
PDE1A P54750 4/20 0.39
PDE1B Q01064 4/20 0.39
PDE1C Q14123 4/20 0.39
PDE2A O00408 3/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SLC16A7 O60669 1/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL7010147 0.83 ALDH1A1 (0.44) MAPK1SLC16A1ALDH1A1LMNASMN1; SMN2
SCHEMBL5864730 0.83 LMNA (0.43) MAPK1HPGDSLC16A1ALDH1A1MAPT
SCHEMBL5865248 0.81 PDE1A (0.41) SLC16A1ALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL7009840 0.81 PDE1A (0.43) HPGDSLC16A1ALDH1A1MAPTHSD17B10
SCHEMBL5864656 0.81 SLC16A1 (0.41) HPGDSLC16A1ALDH1A1MAPTHSD17B10
SCHEMBL5864884 0.81 SLC16A1 (0.49) MAPK1HPGDSLC16A1ALDH1A1MAPT
SCHEMBL6808474 0.80 MAPK1 (0.49) MAPK1HPGDHSF1SLC16A1ALDH1A1
SCHEMBL7006816 0.79 SLC16A1 (0.42) MAPK1SLC16A1ALDH1A1LMNASMN1; SMN2
SCHEMBL5864781 0.79 SLC16A1 (0.47) SLC16A1HSD17B10SMN1; SMN2CYP3A4CYP2C9
SCHEMBL5864909 0.79 SMN1; SMN2 (0.39) SLC16A1ALDH1A1HSD17B10LMNASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
EP-0918752-A4 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RES INC (US) 2001-11-21 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed
EP-0918752-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1999-06-02 EP disclosed
WO-1997044000-A2 DNA-BINDING INDOLE DERIVATIVES, THEIR PRODRUGS AND IMMUNOCONJUGATES AS ANTICANCER AGENTS PANORAMA RESEARCH, INC. (US) 1997-11-27 WO disclosed