SCHEMBL14764889

SCHEMBL14764889

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.73
CA2 P00918 1/20 0.63
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.55
EPHX2 P34913 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL3454922 0.84 P2RX7 (1.00) P2RX7CA2EPHX2
SCHEMBL17483924 0.83 P2RX7 (0.75) P2RX7CA2EPHX2
SCHEMBL6054751 0.83 P2RX7 (0.70) P2RX7CA2MEN1KMT2A
SCHEMBL4879622 0.82 P2RX7 (0.73) P2RX7CA2EPHX2
SCHEMBL13727383 0.80 P2RX7 (0.58) P2RX7MEN1KMT2AKDM4EEPHX2
SCHEMBL16872821 0.76 FAAH (0.71) MEN1KMT2AKDM4EEPHX2
SCHEMBL5431054 0.76 P2RX7 (0.60) P2RX7CA2MEN1KMT2AKDM4E
SCHEMBL7569576 0.76 P2RX7 (1.00) P2RX7CA2MEN1KMT2AEPHX2
SCHEMBL19321961 0.75 P2RX7 (0.63) P2RX7CA2MEN1KMT2AEPHX2
SCHEMBL7570202 0.74 P2RX7 (1.00) P2RX7CA2

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-2013036302-A1 INDUCED TOLEROGENIC DENDRITIC CELLS FOR GENERATING CD8+ REGULATORY T CELLS SELECTA BIOSCIENCES, INC. (US) 2013-03-14 WO disclosed