SCHEMBL7897209

SCHEMBL7897209

NCC(Cn1cc(NC(=O)CC2CCCCC2)c2c(Br)cccc21)N=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX7 Q99572 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1595205 0.88 AAK1 (0.44) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1595844 0.88 AAK1 (0.44) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL177958 0.84 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL178040 0.84 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL13127220 0.82
SCHEMBL1594478 0.81 RAB9A (0.43) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1595365 0.81 RAB9A (0.43) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL178070 0.81 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL177757 0.81 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1595876 0.79 KDM4E (0.46) RAB9ANPC1KMT2AL3MBTL1MEN1

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-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO disclosed