SCHEMBL9372799

SCHEMBL9372799

CC=CC=NNC(=O)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 15/20 0.71
▸ RAB9A P51151 13/20 0.71
▸ GAA P10253 9/20 0.71
▸ MAPT P10636 7/20 0.71
▸ L3MBTL1 Q9Y468 3/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ POLB P06746 5/20 0.63
▸ PKM P14618 5/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.56
▸ GFER P55789 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CYP1A2 P05177 2/20 0.54

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
SCHEMBL9372795 1.00 NPC1 (0.71) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL9372789 1.00 NPC1 (0.71) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL16418411 0.84 NPC1 (0.64) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL9370161 0.81 ALDH1A1 (0.60) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL9370149 0.81 ALDH1A1 (0.60) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL9370153 0.81 ALDH1A1 (0.60) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL15348115 0.78 NPC1 (0.64) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL12767030 0.78 NPC1 (0.64) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL28275739 0.78 NPC1 (0.64) NPC1RAB9AGAAMAPTL3MBTL1
SCHEMBL28260619 0.78 NPC1 (0.64) NPC1RAB9AGAAMAPTL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322691-B1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS (JP) 1994-06-15 — — EP claimed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 — — US claimed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 — — EP claimed
EP-0322691-B1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS (JP) 1994-06-15 — — EP disclosed
US-4895947-A Process for producing 1-acyl-2-pyrazoline derivative MITSUI TOATSU CHEMICALS, INC. (JP) 1990-01-23 — — US disclosed
EP-0322691-A1 Process for producing 1-acyl-2-pyrazoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 — — EP disclosed
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