SCHEMBL28465286

SCHEMBL28465286

O=c1[nH]c2ccccc2nc1C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 1.00
▸ NPC1 O15118 7/20 1.00
▸ RAB9A P51151 7/20 1.00
▸ MEN1 O00255 7/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ MAPT P10636 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ GAA P10253 1/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ MGAM O43451 1/20 0.70
▸ FGFR1 P11362 2/20 0.67
▸ PDGFRB P09619 1/20 0.65
▸ FGFR3 P22607 1/20 0.65
▸ HPGD P15428 2/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPK10 P53779 5/20 0.60
▸ LMNA P02545 1/20 0.57

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
SCHEMBL6936350 0.88 RAB9A (0.78) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL7105109 0.88 RAB9A (0.78) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL1900921 0.86 KMT2A (0.74) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL24701466 0.84 RAB9A (0.72) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6307248 0.81 KDM4E (0.68) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL28465009 0.81 NPC1 (0.68) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL6307247 0.81 KDM4E (0.68) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL3977907 0.80 KDM4E (0.66) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL29953857 0.80 KDM4E (0.66) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL1900840 0.79 KMT2A (0.68) KMT2ANPC1RAB9AMEN1KDM4E

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
CN-111675665-A Styryl-containing quinoxalinone derivatives and preparation method thereof 南京大学 2020-09-18 — — CN disclosed
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