SCHEMBL28530337

SCHEMBL28530337

CCC(=O)c1cc(N(C)C)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 5/20 0.53
TSHR P16473 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
GLA P06280 5/20 0.52
MAPK1 P28482 1/20 0.52
S1PR1 P21453 1/20 0.51
OPRD1 P41143 1/20 0.51
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL16832665 0.84 KDM4E (0.57) KDM4EALDH1A1GAATSHRHSD17B10
SCHEMBL28536559 0.80 L3MBTL1 (0.60) KDM4EALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL28540684 0.80 KDM4E (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL28046850 0.79 ALOX15 (0.55) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL28535854 0.79 KDM4E (0.64) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL8366862 0.78 KDM4E (0.53) KDM4EALDH1A1GAATSHRHSD17B10
SCHEMBL28540687 0.78 KDM4E (0.58) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL28535269 0.75 KDM4E (0.46) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL21940198 0.74 POLB (0.72) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL28046848 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDGLAMAPK1

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-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed