SCHEMBL31031292

SCHEMBL31031292

c1ccc2nn(-n3nc4ccccc4n3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 6/20 0.47
TSHR P16473 2/20 0.40
GPR3 P46089 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 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
SCHEMBL7761590 0.80 KDM4E (0.42) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL2306803 0.73 KDM4E (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL2022886 0.73 KDM4E (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL271774 0.73 KDM4E (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL11496496 0.73 MAPT (0.50) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL822547 0.73 SLC9A1 (0.48) KDM4EHPGDMAPTGPR3HTT
SCHEMBL2930623 0.73 HPGD (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL17832517 0.73 HPGD (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL4633983 0.73 HPGD (0.48) KDM4EHPGDMAPTTSHRGPR3
SCHEMBL103176 0.73 KDM4E (0.55) KDM4EHPGDMAPTTSHRGPR3

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-118151488-A Colored photosensitive resin composition, pigment dispersion liquid, partition wall, organic electroluminescent element, image display device, and illumination 三菱化学株式会社 2024-06-07 CN disclosed