SCHEMBL4310107

SCHEMBL4310107

Cc1ccc2nc(N/C(N)=N/C(=O)Cc3ccc(Cl)cc3)nc(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 6/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 9/20 0.54
NPY2R P49146 1/20 0.54
TP53 P04637 1/20 0.54
KDM4E B2RXH2 9/20 0.53
ALOX12 P18054 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4310110 1.00 MAPT (0.58) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4099273 0.75 KDM4E (0.66) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4099271 0.75 KDM4E (0.66) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL17897822 0.72 LMNA (0.58) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4375388 0.70 TP53 (0.46) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL23657792 0.70 KDM4E (1.00) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL3470444 0.70 KDM4E (0.58) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL16906411 0.69 RAB9A (0.55) KMT2AALDH1A1MEN1RAB9ANPC1
SCHEMBL7053255 0.68 MPO (0.55) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL4375390 0.67 MAPT (0.53) MAPTKMT2AALDH1A1MEN1RAB9A

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
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO disclosed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO disclosed