SCHEMBL8061016

SCHEMBL8061016

CCOC(=O)CSc1nccn1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
RGS12 O14924 1/20 0.59
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 4/20 0.55
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL9805593 0.80 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL3764555 0.79 RAB9A (0.60) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14624712 0.79 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7423557 0.78 RAB9A (0.58) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10402107 0.75 RAB9A (0.50) ALDH1A1MAPTRGS12RAB9ASMN1; SMN2
SCHEMBL10402108 0.75 RAB9A (0.50) ALDH1A1MAPTRGS12RAB9ASMN1; SMN2
SCHEMBL1046695 0.73 TBXAS1 (0.44) ALDH1A1MAPTRGS12SMN1; SMN2LMNA
SCHEMBL10403280 0.73 MAPT (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13416227 0.73
SCHEMBL28476855 0.72 KDM6B (0.45) ALDH1A1MAPTRGS12RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed