SCHEMBL6587722

SCHEMBL6587722

Cc1cc(Cl)nc(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
PRMT5 O14744 4/20 0.53
DHFR P00374 2/20 0.51
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
GSTP1 P09211 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR1 O14842 1/20 0.45
ALOX5 P09917 1/20 0.45
IKBKE Q14164 1/20 0.45
MAOB P27338 2/20 0.44
MCL1 Q07820 1/20 0.44
XDH P47989 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL7379345 0.90 PRMT5 (0.59) LMNAPRMT5DHFRENPP3ENPP1
SCHEMBL14311057 0.80 ALOX5 (0.49) LMNAPRMT5MEN1POLBRAB9A
SCHEMBL1772953 0.79 LMNA (1.00) LMNAMEN1POLBRAB9AKMT2A
SCHEMBL6587114 0.78 ENPP3 (0.55) PRMT5ENPP3ENPP1GSTP1MEN1
SCHEMBL8665281 0.77 ALDH1A1 (0.49) LMNAPRMT5ALOX5
SCHEMBL9424186 0.77 DHFR (0.50) LMNAPRMT5DHFRENPP3ENPP1
SCHEMBL632828 0.76 LMNA (0.64) LMNAMEN1RAB9AKMT2ANPSR1
SCHEMBL7379441 0.76 LMNA (0.59) LMNADHFRENPP3ENPP1GSTP1
SCHEMBL7373015 0.75 MCL1 (0.55) LMNAPRMT5ENPP3ENPP1GSTP1
SCHEMBL17094749 0.75 DHFR (0.48) LMNAPRMT5DHFRENPP3ENPP1

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-0781766-B1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2004-03-31 EP disclosed
US-6191149-B1 DRUG FOR CEREBROVASCULAR DISEASE NIPPON SHINYAKU, CO., LTD. (JP) 2001-02-20 US disclosed
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US disclosed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 EP disclosed