SCHEMBL10672271

SCHEMBL10672271

CC=NNc1nc2ccc(C)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.55
▸ LMNA P02545 1/20 0.55
▸ DYRK1A Q13627 1/20 0.55
▸ RAB9A P51151 12/20 0.49
▸ MAPT P10636 6/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TP53 P04637 3/20 0.48
▸ ACP1 P24666 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ NFKB1 P19838 2/20 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
SCHEMBL10678325 0.84 NPC1 (0.59) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL11020618 0.80 MAPT (0.67) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL17123531 0.80 MAPT (0.67) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL24705959 0.77 DYRK1A (0.53) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL13151088 0.77 NPC1 (0.64) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL2115626 0.76 NPC1 (0.65) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL21914837 0.76 NPC1 (0.62) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL14189677 0.75 NPC1 (0.57) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL14189675 0.75 NPC1 (0.61) NPC1LMNADYRK1ARAB9AMAPT
SCHEMBL11019331 0.75 IDO1 (0.59) NPC1LMNADYRK1ARAB9AMAPT

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
US-4732986-A Benzothiazole derivatives, processes for their preparation and pharmaceutical compositions containing these compounds LUDWIG HEUMANN & CO. GMBH (DE) 1988-03-22 — — US disclosed
EP-0160173-A1 Benzothiazole derivatives, processes for their production and medicaments containing them LUDWIG HEUMANN & CO GMBH (DE) 1985-11-06 — — EP disclosed
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