SCHEMBL31098949

SCHEMBL31098949

c1ccc2c(NC3CCCC3)nccc2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 1/20 0.59
PDE5A O76074 2/20 0.50
ACP1 P24666 2/20 0.50
UTS2R Q9UKP6 1/20 0.49
OGG1 O15527 1/20 0.49
TLR7 Q9NYK1 2/20 0.48
GRM4 Q14833 1/20 0.46
GBA1 P04062 5/20 0.46
HPGDS O60760 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL31098961 0.98 KDM4E (0.57) KDM4EHSD17B10PDE5AACP1UTS2R
SCHEMBL31098977 0.97 KDM4E (0.54) KDM4EHSD17B10PDE5AACP1UTS2R
SCHEMBL30614565 0.93 UTS2R (0.55) KDM4EHSD17B10ACP1UTS2RTLR7
SCHEMBL7127434 0.93 UTS2R (0.55) KDM4EHSD17B10ACP1UTS2RTLR7
SCHEMBL31098943 0.86 MERTK (0.51) UTS2R
SCHEMBL2417594 0.86 BRD4 (0.52) KDM4EHSD17B10UTS2RMEN1KMT2A
Hydrochloric Acid SCHEMBL2419851 0.84 BRD4 (0.51) KDM4EHSD17B10UTS2RMEN1KMT2A
SCHEMBL21047679 0.84 UTS2R (0.45) KDM4EHSD17B10ACP1UTS2RGRM4
SCHEMBL29586351 0.84 UTS2R (0.45) KDM4EHSD17B10ACP1UTS2RGRM4
SCHEMBL25276687 0.81 UTS2R (0.57) KDM4EHSD17B10ACP1UTS2RTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN claimed