SCHEMBL13286844

SCHEMBL13286844

Cc1cnc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
GFER P55789 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PKM P14618 2/20 0.45
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRKCI P41743 1/20 0.43
HCRTR1 O43613 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL34855 0.95 NPC1 (0.55) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL34849 0.87 ADORA3 (0.47) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL13533828 0.83 NPC1 (0.65) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL18415734 0.81 NPC1 (0.57) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL902859 0.81 ADORA3 (0.63) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL35036 0.80 NPC1 (0.55) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL15883044 0.80 NPC1 (0.55) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL12349989 0.80 NPC1 (0.62) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL2457137 0.79 RAB9A (0.67) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL12708875 0.79 METAP2 (0.56) NPC1RAB9AMEN1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559367-B2 Long-life membrane electrode assemblies and its use in fuel cells BASF FUEL CELL GMBH (DE) 2017-01-31 US disclosed
US-7745030-B2 Proton-conducting polymer membrane comprising sulfonic acid-containing polyazoles, and use thereof in fuel cells BASF FUEL CELL GMBH (DE) 2010-06-29 US disclosed