SCHEMBL6830269

SCHEMBL6830269

COC(=O)NC1=CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
CASP6 P55212 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 6/20 0.38
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 3/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL30567338 0.84 EPHX2 (0.42) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL5042357 0.83 NPC1 (0.47) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL31465075 0.83 NPC1 (0.47) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL28918169 0.81 HPGD (0.39) PKMCASP6KMT2AMEN1HPGD
SCHEMBL3610251 0.81 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL3610245 0.81 HTR6 (0.37) KMT2AMEN1SMN1; SMN2NPC1KDM4E
SCHEMBL4512370 0.74 CYP1A2 (0.37) CYP1A2
SCHEMBL4512373 0.72 ALDH1A1 (0.42) KMT2AMEN1HPGDSMN1; SMN2KDM4E
SCHEMBL4029362 0.72 ALDH1A1 (0.44) HPGDKDM4EALDH1A1HSD17B10LMNA
SCHEMBL28493380 0.72 HTR6 (0.41) CASP6KMT2AMEN1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US claimed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO claimed
CN-109715605-A Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2019-05-03 CN disclosed
CN-109715598-A Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2019-05-03 CN disclosed
CN-109715638-A The method for preparing the structural unit phosphonium salt ester as carotenoid 巴斯夫欧洲公司 2019-05-03 CN disclosed
CN-109689610-A The method for preparing 12 '-apocarotenal esters of the structural unit as carotenoid 巴斯夫欧洲公司 2019-04-26 CN disclosed
US-6737547-B1 Compositions containing and methods of using N-acyl-1H-aminoindenes TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-05-18 US disclosed
WO-2000038673-A1 COMPOSITIONS CONTAINING AND METHODS OF USING N-ACYL-1H-AMINOINDENES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2000-07-06 WO disclosed