SCHEMBL6587114

SCHEMBL6587114

Cc1nc(Cl)cc(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.55
ENPP1 P22413 1/20 0.55
MCL1 Q07820 4/20 0.53
XDH P47989 1/20 0.53
PRMT5 O14744 3/20 0.53
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
GSTP1 P09211 1/20 0.48
PIM1 P11309 1/20 0.46
WDR5 P61964 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
IKBKE Q14164 1/20 0.45

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
SCHEMBL7373015 0.86 MCL1 (0.55) ENPP3ENPP1MCL1XDHPRMT5
SCHEMBL25068057 0.79 KDM4E (0.58) MEN1POLBRAB9AKMT2ASMN1; SMN2
SCHEMBL602093 0.79 KDM4E (0.61) MEN1POLBRAB9AKMT2ASMN1; SMN2
SCHEMBL7379345 0.79 PRMT5 (0.59) ENPP3ENPP1MCL1XDHPRMT5
SCHEMBL6587722 0.78 LMNA (0.63) ENPP3ENPP1MCL1XDHPRMT5
SCHEMBL7528767 0.77 PRMT5 (0.55) ENPP3ENPP1MCL1XDHPRMT5
SCHEMBL603696 0.77 NUDT1 (0.48) MCL1PRMT5SMN1; SMN2ALOX5ALDH1A1
SCHEMBL9013572 0.76 KDM4E (0.53) ENPP3MEN1NPC1RAB9AKMT2A
SCHEMBL8614763 0.74 RAB9A (0.54) ENPP3ENPP1MCL1XDHPRMT5
SCHEMBL8615437 0.74 RAB9A (0.57) ENPP3ENPP1MCL1XDHPRMT5

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 6 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
CN-1118454-C Heterocyclic derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2003-08-20 CN 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
CN-1157609-A Heterocyclic derivative and medicine NIPPON SHINYAKU CO LTD (JP) 1997-08-20 CN disclosed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 EP disclosed