SCHEMBL8264191

SCHEMBL8264191

CCNC(=O)COc1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ PLA2G1B P04054 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ATG4B Q9Y4P1 1/20 0.55
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ PPARD Q03181 1/20 0.51

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
SCHEMBL13458590 0.91 KMT2A (0.67) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8266366 0.90 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL15333875 0.80 RAB9A (0.64) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL14885455 0.78 RAB9A (0.62) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL1433698 0.77 RAB9A (0.81) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7606595 0.76 KMT2A (0.70) RAB9AKMT2AMEN1LMNAALDH1A1
SCHEMBL8265550 0.76 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL29952545 0.76 ALDH1A1 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13627123 0.76 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL19002729 0.76 RAB9A (0.69) RAB9ASMN1; SMN2NPC1KMT2AMEN1

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
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 — — EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 — — WO disclosed
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