SCHEMBL3955874

SCHEMBL3955874

COc1cccc(Nc2nc3ccccc3o2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
MAPT P10636 3/20 0.64
GAA P10253 2/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
ALDH1A1 P00352 1/20 0.63
PKM P14618 1/20 0.63
RPS6KA2 Q15349 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.53
DYRK3 O43781 1/20 0.53
MAP4K4 O95819 1/20 0.53
EGFR P00533 1/20 0.53
PDGFRA P16234 1/20 0.53
LTK P29376 1/20 0.53
GRK5 P34947 1/20 0.53
KDR P35968 1/20 0.53

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
SCHEMBL7108873 0.84 SMN1; SMN2 (0.69) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL18235580 0.81 NPC1 (0.69) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL3477398 0.81 FAAH (0.58) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL12749660 0.81 MEN1 (0.62) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL3949035 0.80 NPC1 (0.71) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL19029283 0.79 HDAC6 (0.72) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL2658434 0.78 NPC1 (1.00) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL7907992 0.78 NPC1 (0.69) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL11385434 0.78 NPC1 (0.63) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL18233034 0.78 NPC1 (0.63) RAB9AMEN1KMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed