SCHEMBL6986767

SCHEMBL6986767

Clc1ccc(-c2cnc(-c3ccncc3)nc2)cc1.N=C(N)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDR P35968 1/20 0.41
MAP4K4 O95819 4/20 0.40
F10 P00742 1/20 0.40
GCGR P47871 1/20 0.39
WDR5 P61964 1/20 0.39
CHEK2 O96017 1/20 0.38

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
SCHEMBL6782503 0.86 PDGFRB (0.54) LMNAPDGFRBPDGFRANPC1RAB9A
SCHEMBL395110 0.81 NPC1 (0.57) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL25090641 0.77 WDR5 (0.61) LMNAALDH1A1MAPTHPGDHSD17B10
SCHEMBL12786341 0.77 NPC1 (0.60) LMNAPDGFRBPDGFRANPC1RAB9A
SCHEMBL28119259 0.77 NPC1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL775333 0.75 NPC1 (0.61) LMNAPDGFRBPDGFRANPC1RAB9A
SCHEMBL1262124 0.73
SCHEMBL9099501 0.72 NPC1 (0.80) LMNAPDGFRBPDGFRANPC1RAB9A
SCHEMBL9098509 0.72 NPC1 (0.80) LMNAPDGFRBPDGFRANPC1RAB9A
SCHEMBL9098395 0.72 NPC1 (0.80) LMNAPDGFRBPDGFRANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 WO disclosed