SCHEMBL6624347

SCHEMBL6624347

Cc1cccc(C)c1N(C(=O)C(N)=O)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
MYC P01106 1/20 0.37
ALDH1A1 P00352 6/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
PARP1 P09874 1/20 0.36
PKM P14618 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SCN4A P35499 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL18955463 0.87 HSD17B1 (0.40) ESR1ESR2POLB
SCHEMBL5396721 0.79 SIGMAR1 (0.42) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL21751705 0.78 CYP3A4 (0.41) ALDH1A1HTR2BHSD17B10HPGDMEN1
SCHEMBL6429870 0.77 ALDH1A1 (0.36) MYCALDH1A1HSD17B10MAPTKDM4E
SCHEMBL11780322 0.75 TSHR (0.41) MYCALDH1A1HSD17B10MAPTKDM4E
SCHEMBL6037591 0.75 ESR1 (0.41) ALDH1A1PARP1ESR1ESR2MEN1
SCHEMBL6762555 0.74 ALOX5 (0.37) MYCALDH1A1DRD2HTR2AHTR2B
SCHEMBL30705345 0.74 CA12 (0.47) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL7909023 0.74 GABRA1 (0.43) SLC9A1HTR2BHPGDTSHRKMT2A
SCHEMBL7908998 0.74 KMT2A (0.54) ALDH1A1MAPTKDM4EHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975682-B1 GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEM CO (US) 2004-05-19 EP disclosed
WO-2001025298-A1 MULTINUCLEAR TRANSITION METAL CATALYSTS FOR PREPARATION OF MULTIMODAL POLYMER COMPOSITIONS SRI INTERNATIONAL (US) 2001-04-12 WO disclosed
EP-0973762-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS , PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2000-01-26 EP disclosed
WO-1998040374-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS, PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1998-09-17 WO disclosed