SCHEMBL17656206

SCHEMBL17656206

Cc1nc2ccc(-c3ccc(-c4ccc(-c5cnc(C(C)C)[nH]5)cc4)cc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
RELA Q04206 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
SCHEMBL2706620 0.89 KDM4E (0.50) KDM4EAAK1HSD17B10SCN10A
SCHEMBL19884296 0.86 NPC1 (0.39) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL9980197 0.85 RAB9A (0.51) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL9980154 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDAAK1HSD17B10
SCHEMBL20055644 0.84 AAK1 (0.47) KDM4EMAPTGAAAAK1
SCHEMBL20055263 0.82 USP7 (0.47) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL2756562 0.80 KDM4E (0.36) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL17323162 0.80 CNR1 (0.41) NPC1RAB9APOLBGFERSCN10A
SCHEMBL15443396 0.79 NLN (0.47) KDM4EHSD17B10
SCHEMBL2706737 0.79 ALDH1A1 (0.56) NPC1RAB9APOLBSMN1; SMN2MEN1

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-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed