SCHEMBL11020602

SCHEMBL11020602

CCC=NNc1nc2ccccc2s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.79
▸ NPC1 O15118 15/20 0.79
▸ RAB9A P51151 14/20 0.79
▸ GAA P10253 12/20 0.79
▸ SMN1; SMN2 Q16637 12/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ KMT2A Q03164 12/20 0.57
▸ MEN1 O00255 11/20 0.57
▸ NFKB1 P19838 5/20 0.57
▸ NFKB2 Q00653 5/20 0.57
▸ RELA Q04206 5/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ PAX8 Q06710 1/20 0.57
▸ LMNA P02545 4/20 0.56
▸ HPGD P15428 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GLA P06280 1/20 0.56

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
SCHEMBL11036125 0.84 NPC1 (0.81) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL11036127 0.84 NPC1 (0.81) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL17123531 0.83 MAPT (0.67) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL11020618 0.83 MAPT (0.67) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8592758 0.78 MAPT (0.61) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL8592761 0.78 MAPT (0.61) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL1231354 0.77 MAPT (0.70) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL1231353 0.77 MAPT (0.70) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL17963016 0.76 MAPT (0.65) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL22331496 0.74 MAPT (0.59) MAPTNPC1RAB9AGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158083-A2 Medicines LUDWIG HEUMANN & CO GMBH (DE) 1985-10-16 — — EP disclosed
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