SCHEMBL3433897

SCHEMBL3433897

O=C(O)n1nc(-c2cc(Cl)ccn2)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4A O75164 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
GRM5 P41594 6/20 0.32
F2 P00734 1/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
KMO O15229 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL13425460 0.82 FAAH (0.36) ALDH1A1MAPTL3MBTL1NOS1NOS2
SCHEMBL3395935 0.79 ENPP3 (0.39) KDM4CALDH1A1MAPTL3MBTL1KDM4A
SCHEMBL3434860 0.78 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL3395670 0.76 SORT1 (0.32) ALDH1A1MAPTGRM5F2
SCHEMBL3394445 0.74 ALPL (0.43) ALDH1A1MAPT
SCHEMBL3431052 0.71 CNR1 (0.37) ALDH1A1MAPTGRM5
SCHEMBL3395630 0.70 HDAC6 (0.44) ALDH1A1MAPTGRM5F2
SCHEMBL3392233 0.70 PTGER4 (0.39) ALDH1A1GRM5F2
SCHEMBL827247 0.68 CCR1 (0.48) ALDH1A1MAPTL3MBTL1GRM5KMO
SCHEMBL3394902 0.68 GSK3B (0.39)

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed