SCHEMBL19905064

SCHEMBL19905064

CCCC(C)c1cccc2c(C(=O)NC)ccnc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.51
PLK1 P53350 2/20 0.40
PSMD14 O00487 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM4A O75164 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
NPC1 O15118 2/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
ALOX12 P18054 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL19905328 0.90 SLC40A1 (0.53) SLC40A1PLK1PSMD14L3MBTL1RAB9A
SCHEMBL15328545 0.86 SLC40A1 (0.52) SLC40A1PLK1PSMD14L3MBTL1RAB9A
SCHEMBL15328640 0.86 SLC40A1 (0.52) SLC40A1PLK1PSMD14L3MBTL1RAB9A
SCHEMBL20415195 0.86 L3MBTL1 (0.40) SLC40A1PSMD14L3MBTL1RAB9AKDM4E
Hydrochloric Acid SCHEMBL29624025 0.85 SLC40A1 (0.51) SLC40A1PLK1PSMD14L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL28552491 0.85 SLC40A1 (0.51) SLC40A1PLK1PSMD14L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL28016091 0.85 SLC40A1 (0.51) SLC40A1PLK1PSMD14L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL28016092 0.85 SLC40A1 (0.51) SLC40A1PLK1PSMD14L3MBTL1RAB9A
SCHEMBL15343062 0.84 SLC40A1 (0.54) SLC40A1PLK1PSMD14L3MBTL1RAB9A
SCHEMBL18317971 0.84 SLC40A1 (0.50) SLC40A1PLK1PSMD14L3MBTL1RAB9A

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
EP-3057959-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2018-02-28 EP disclosed