SCHEMBL4055744

SCHEMBL4055744

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.62
▸ MAPT P10636 3/20 0.62
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MAOB P27338 1/20 0.60
▸ DDR2 Q16832 5/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PDGFRB P09619 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ RAF1 P04049 2/20 0.49
▸ BRAF P15056 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL2342393 0.90 MAPK14 (0.71) MAPK14MAPTNPC1RAB9AKDM4E
SCHEMBL3959437 0.84 MAPT (0.58) MAPK14MAPTNPC1RAB9AKDM4E
SCHEMBL2348672 0.83 MAPK14 (0.62) MAPK14MAPTNPC1RAB9AKDM4E
SCHEMBL6185626 0.83 MAPK1 (0.65) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL2343083 0.83 MAPK14 (0.64) MAPK14MAPTNPC1RAB9AKDM4E
SCHEMBL3952897 0.82 RAF1 (0.57) MAPK14MAPTNPC1RAB9ARAF1
SCHEMBL3955158 0.82 MAPT (0.59) MAPK14MAPTNPC1RAB9AALDH1A1
SCHEMBL5934793 0.82 MAPT (0.63) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL3959184 0.81 RAF1 (0.61) MAPK14MAPTNPC1RAB9ALMNA
SCHEMBL13907630 0.80 MAPT (0.57) MAPTNPC1RAB9ALMNASMN1; SMN2

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 — — WO disclosed
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