SCHEMBL20055263

SCHEMBL20055263

CCc1ncc(-c2ccc(-c3ccc(-c4ccc5nc(C)[nH]c5c4)cc3)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
GFER P55789 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PRKCI P41743 1/20 0.43
HPGD P15428 2/20 0.42
HCRTR1 O43613 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL9980197 0.85 RAB9A (0.51) USP7NPC1RAB9APOLBSMN1; SMN2
SCHEMBL20055110 0.85 AAK1 (0.48) MEN1KMT2AKDM4EAAK1HSD17B10
SCHEMBL17656206 0.82 NPC1 (0.46) USP7NPC1RAB9APOLBSMN1; SMN2
SCHEMBL20055648 0.81 AAK1 (0.50) MEN1KMT2AAAK1
SCHEMBL8746195 0.80 PDE10A (0.49)
SCHEMBL13071128 0.79 NPC1 (0.54) USP7NPC1RAB9APOLBSMN1; SMN2
SCHEMBL20055644 0.79 AAK1 (0.47) KDM4EMAPTGAAAAK1
SCHEMBL15463298 0.78 KMT2A (0.50) USP7NPC1RAB9APOLBSMN1; SMN2
SCHEMBL2457137 0.78 RAB9A (0.67) USP7NPC1RAB9APOLBSMN1; SMN2
SCHEMBL20054554 0.76 AAK1 (0.46) MEN1KMT2AKDM4EMAPTAAK1

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-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed