SCHEMBL8413071

SCHEMBL8413071

O=C(CCc1ccccc1)N1CC(=NO)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
FKBP1A P62942 1/20 0.56
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
NAAA Q02083 1/20 0.51
TSHR P16473 1/20 0.51
EP300 Q09472 1/20 0.50
CARM1 Q86X55 1/20 0.50
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KEAP1 Q14145 1/20 0.47

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
SCHEMBL8412335 0.88 NPC1 (0.59) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL8413137 0.84 NPC1 (0.67) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL7131839 0.79 NPC1 (0.86) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL25432319 0.76 NPC1 (0.93) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL3700679 0.76 NPC1 (1.00) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL6285963 0.75 NPC1 (0.96) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL17087869 0.75 NPC1 (0.96) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL8414684 0.73 NPC1 (0.65) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL8411392 0.73 NPC1 (0.65) NPC1TDP1FKBP1APOLBL3MBTL1
SCHEMBL3796874 0.73 NPC1 (0.75) NPC1TDP1FKBP1APOLBL3MBTL1

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-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US claimed
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US disclosed