SCHEMBL5586458

SCHEMBL5586458

Oc1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
ESR1 P03372 3/20 0.55
ESR2 Q92731 2/20 0.55
USP7 Q93009 2/20 0.48
MMP3 P08254 1/20 0.46

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
SCHEMBL28489934 0.91 MEN1 (0.83) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14422990 0.90 MEN1 (0.82) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14422989 0.89 MEN1 (0.80) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9099501 0.89 NPC1 (0.80) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3625738 0.87 MEN1 (0.77) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19244623 0.84 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18098875 0.84 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14064100 0.82 MEN1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9098433 0.82 MEN1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2439837 0.81 MEN1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176184-B1 Mesomorphic compound, polymeric mesomorphic compound, and electrolyte and secondary battery including same CANON KK (JP) 2007-01-03 EP disclosed
US-6936186-B2 Mesomorphic compound, polymeric mesomorphic compound, and electrolyte and secondary battery including same CANON KABUSHIKI KAISHA (JP) 2005-08-30 US disclosed
US-20020047104-A1 Mesomorphic compound, polymeric mesomorphic compound, and electrolyte and secondary battery including same CANON KABUSHIKI KAISHA (JP) 2002-04-25 US disclosed
EP-1176184-A2 Mesomorphic compound, polymeric mesomorphic compound, and electrolyte and secondary battery including same CANON KABUSHIKI KAISHA (JP) 2002-01-30 EP disclosed