SCHEMBL21708400

SCHEMBL21708400

O=C(O)c1ccc(-c2nc3cc(C(=O)O)ccc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
KDM4E B2RXH2 5/20 0.65
NFKB1 P19838 5/20 0.65
NFKB2 Q00653 5/20 0.65
RELA Q04206 5/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 4/20 0.64
ALDH1A1 P00352 3/20 0.64
POLB P06746 3/20 0.64
GAA P10253 3/20 0.64
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
GFER P55789 2/20 0.64
MITF O75030 1/20 0.64
RECQL P46063 1/20 0.64
PAX8 Q06710 1/20 0.64
KLF5 Q13887 1/20 0.64
MEN1 O00255 2/20 0.63

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
SCHEMBL1744060 0.92 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL8534417 0.91 MAPT (0.79) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL11567645 0.91 RAB9A (0.68) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL11562017 0.91 KDM4E (0.61) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL9797066 0.90 KDM4E (0.71) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL11141442 0.86 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL9797268 0.85 KDM4E (0.88) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL505728 0.83 KDM4E (0.69) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL26962452 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL8535606 0.80 MAPT (0.68) NPC1RAB9ASMN1; SMN2KDM4ENFKB1

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
EP-3611224-A1 COMPOSITION, COMPOSITE FILM AND MEMBRANE ELECTRODE ASSEMBLY ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-19 EP disclosed
CN-110366576-A Composition, composite membrane, membrane-electrode assembly 旭化成株式会社 2019-10-22 CN disclosed