SCHEMBL16740549

SCHEMBL16740549

c1ccc(-c2ccc3cnn(-c4nc5ccccc5[nH]4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45

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
SCHEMBL6664820 0.69 TRPA1 (0.45) NPC1RAB9AKDM4EPAX8L3MBTL1
SCHEMBL30449712 0.68 SPR (0.59) NPC1RAB9AKDM4EPAX8MAPT
SCHEMBL1193113 0.68 SPR (0.59) NPC1RAB9AKDM4EPAX8MAPT
SCHEMBL6281434 0.68 AURKA (0.55) NPC1RAB9AKDM4EPAX8EGLN1
SCHEMBL5252860 0.68 CHEK1 (0.53) NPC1RAB9AKDM4EMAPTTP53
SCHEMBL15246754 0.68 RAB9A (0.61) NPC1RAB9AKDM4EPAX8MAPT
SCHEMBL12748139 0.68 NPC1 (0.51) NPC1RAB9AKDM4EPAX8MAPT
SCHEMBL7068732 0.67 ERCC1 (0.54) KHKIRAK4NR3C1
SCHEMBL2252555 0.65 NPC1 (0.92) NPC1RAB9AKDM4EMAPTTP53
SCHEMBL17470481 0.64 NPC1 (0.76) NPC1RAB9AKDM4EMAPTTP53

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-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 — — WO disclosed
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