SCHEMBL11270839

SCHEMBL11270839

Cc1c2nc(NC(=O)CN(C)C)sc2c(C(=O)O)c2sc(NC(=O)CN(C)C)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ NPC1 O15118 2/20 0.41
▸ GLS O94925 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL11256003 0.88 MAPT (0.44) MAPTNPC1GLSSMN1; SMN2RAB9A
SCHEMBL11257125 0.80 NPC1 (0.44) MAPTNPC1GLSSMN1; SMN2RAB9A
SCHEMBL11257042 0.77 MAPT (0.41) MAPTNPC1GLSSMN1; SMN2LMNA
SCHEMBL11256038 0.76 MAPT (0.41) MAPTNPC1GLSSMN1; SMN2LMNA
SCHEMBL11270826 0.75 MAPT (0.39) MAPTNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL11262084 0.74 SMN1; SMN2 (0.57) MAPTNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL11253904 0.72 MAPT (0.49) MAPTNPC1SMN1; SMN2RAB9ALMNA
SCHEMBL11265038 0.71 MAPT (0.41) MAPTNPC1GLSSMN1; SMN2RAB9A
SCHEMBL11259929 0.71 MAPT (0.55) MAPTNPC1GLSSMN1; SMN2RAB9A
SCHEMBL2342623 0.69 NPC1 (0.60) MAPTNPC1GLSSMN1; SMN2RAB9A

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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