SCHEMBL7015242

SCHEMBL7015242

CC1(C)COC(c2ccccc2-c2ccc3[nH]ccc3c2)=N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.42
GUSB P08236 3/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.41
MAP3K11 Q16584 2/20 0.40
NISCH Q9Y2I1 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
BRAF P15056 1/20 0.38
CYP2D6 P10635 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 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
SCHEMBL7023188 0.82 MEN1 (0.43) NPC1KDM4EBRD4MEN1RAB9A
SCHEMBL8486524 0.79 KDM4E (0.46) KDM4EHRH3CYP2D6
SCHEMBL18380643 0.77 KDM4E (0.61) KDM4EHRH3CYP2D6
SCHEMBL7112634 0.75 KDM4E (0.53) KDM4EHRH3CYP2D6
SCHEMBL371 0.74 KDM4E (0.49) NPC1KDM4ERAB9AHRH3CYP2D6
SCHEMBL8931882 0.73 KDM4E (0.46) NPC1KDM4EBRD4MEN1RAB9A
SCHEMBL11491135 0.73 KDM4E (0.47) KDM4EHRH3CYP2D6
SCHEMBL22178786 0.72 NPC1 (0.76) NPC1GUSBMAP3K11NISCHALOX5AP
SCHEMBL7830474 0.71 KDM4E (0.42) KDM4EHRH3CYP2D6
SCHEMBL11486308 0.71 KDM4E (0.46) NPC1KDM4ERAB9ABACE1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed