SCHEMBL6052015

SCHEMBL6052015

Cc1c(C(=O)Nc2ccc(N3CCN(C4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
P2RY12 Q9H244 1/20 0.41
DRD4 P21917 1/20 0.40
MITF O75030 1/20 0.38

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
SCHEMBL6052674 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052283 0.94 NPC1 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052190 0.92 MCHR1 (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052262 0.92 NPC1 (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
Water SCHEMBL6052279 0.92 NPC1 (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052336 0.90 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052303 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
Water SCHEMBL6052385 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052476 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052330 0.88 NPC1 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed