SCHEMBL20445365

SCHEMBL20445365

Cc1cccc(-c2nc3ccc(-c4ccc(-c5nc6ccccc6[nH]5)c(C)c4)cc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.61
▸ RAB9A P51151 9/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ PKM P14618 3/20 0.56
▸ HPGD P15428 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ NPBWR1 P48145 2/20 0.53
▸ TP53 P04637 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ KDR P35968 2/20 0.50

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
SCHEMBL3335064 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL35046 0.81 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL8957841 0.80 RAB9A (0.71) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL12999376 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL34865 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL14665558 0.77 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL26293782 0.77 NPBWR1 (0.56) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL14665681 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL14665614 0.76 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1POLB
SCHEMBL5595394 0.76 MEN1 (0.72) NPC1RAB9ASMN1; SMN2MEN1POLB

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-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 — — WO disclosed
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