SCHEMBL12944360

SCHEMBL12944360

Oc1cc2nc(-c3ccccn3)[nH]c2cc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
CBFB Q13951 10/20 0.56
METAP2 P50579 8/20 0.54
METAP1 P53582 7/20 0.54
HPGD P15428 2/20 0.50
MTOR P42345 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F7 P08709 1/20 0.48

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
SCHEMBL124273 0.86 CBFB (0.68) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL179152 0.82 CBFB (0.58) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL125111 0.79 CBFB (0.67) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL125289 0.78 CBFB (0.65) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL13866537 0.76 NPC1 (0.81) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL20350768 0.74 CBFB (0.59) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL14906739 0.74 CBFB (0.72) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL13223456 0.73 NPC1 (1.00) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL124197 0.72 CBFB (0.78) NPC1RAB9APKMLMNASMN1; SMN2
SCHEMBL125153 0.71 CBFB (1.00) NPC1RAB9APKMLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132684-A9 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-06 WO disclosed
WO-2010132684-A2 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-11-18 WO disclosed