SCHEMBL7961010

SCHEMBL7961010

C1=C[N]C(N2CCCCC2)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
CHKA P35790 1/20 0.32
CYP1A2 P05177 1/20 0.31
TERT O14746 1/20 0.31
USP2 O75604 3/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
INMT O95050 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8310892 0.98 CHKA (0.33) HPGDCHKAKDM4EALDH1A1MAPT
SCHEMBL11044926 0.74
SCHEMBL11603946 0.71 APAF1 (0.35) HPGDCYP1A2ALDH1A1MAPTTDP1
SCHEMBL14941610 0.69 HPGD (0.38) HPGDCHKACYP1A2TERTUSP2
SCHEMBL21616827 0.64 HRH3 (0.43) CYP1A2KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL150065 0.62
SCHEMBL1408936 0.60 HPGD (0.35) HPGDCHKACYP1A2TERTUSP2
SCHEMBL27820601 0.56 ALDH1A1 (0.32) HPGDUSP2KDM4EALDH1A1MAPT
SCHEMBL179932 0.56 CHKA (0.33) HPGDCHKACYP1A2USP2KDM4E
SCHEMBL11290984 0.55

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-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed