SCHEMBL1912410

SCHEMBL1912410

C=C(NCc1ccc(-c2ccnc(C)c2)c(F)c1)c1ccc(-c2cncnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 5/20 0.45
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPK1 P28482 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
SCHEMBL248493 0.88 HDAC1 (0.53) WNT3AKDM1AHDAC1PSEN1PSEN2
SCHEMBL248751 0.75 PSEN1 (0.59) WNT3AKDM1AHDAC1PSEN1PSEN2
SCHEMBL1912409 0.68 PDE3B (0.45) WNT3A
SCHEMBL1912406 0.68 HDAC2 (0.50) WNT3AHDAC1MAPK1
SCHEMBL12699626 0.67 WNT3A (0.54) WNT3A
SCHEMBL27971540 0.66 WNT3A (0.52) WNT3A
SCHEMBL15607097 0.64 WNT3A (0.76) WNT3A
SCHEMBL15606943 0.63 WNT3A (0.69) WNT3A
SCHEMBL14802584 0.63 HDAC1 (0.51) KDM1AHDAC1MAPK1
SCHEMBL246715 0.63 WNT3A (0.61) WNT3APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed