SCHEMBL4779401

SCHEMBL4779401

[CH2]CN(C)C(=O)NCc1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL4779366 0.84 P2RX7 (0.45) P2RX7SMN1; SMN2LMNAKDM4ENPSR1
SCHEMBL12944004 0.77 P2RX7 (0.53) P2RX7SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL6361128 0.75 P2RX7 (0.64) P2RX7SMN1; SMN2LMNANPSR1NPC1
SCHEMBL5067379 0.74 P2RX7 (0.56) P2RX7SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL8380160 0.73 NPC1 (0.53) P2RX7SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL5798126 0.73 NPC1 (0.53) P2RX7SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL4777622 0.72 NPC1 (0.57) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL6293580 0.72 P2RX7 (0.54) P2RX7SMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL4378400 0.72 P2RX7 (0.54) P2RX7SMN1; SMN2LMNANPSR1NPC1
SCHEMBL6293582 0.72 P2RX7 (0.54) P2RX7SMN1; SMN2NPSR1NPC1RAB9A

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-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed