SCHEMBL21973672

SCHEMBL21973672

Cc1cccc2c3cc4c(cc3n(-c3cccc5ccccc35)c12)c1ccccc1n4-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.49
FTO Q9C0B1 1/20 0.49
ALDH1A1 P00352 5/20 0.42
CYP2A6 P11509 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GSR P00390 1/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23989067 0.92 ALKBH5 (0.56) ALKBH5FTOALDH1A1CYP2A6CNR1
SCHEMBL126285 0.87 ALDH1A1 (0.44) ALDH1A1CNR1CNR2GSRHPGD
SCHEMBL17736870 0.83 TDP1 (0.44) ALDH1A1CNR1CNR2GSRHPGD
SCHEMBL16202920 0.83 TDP1 (0.44) ALDH1A1CNR1CNR2GSRHPGD
SCHEMBL6569322 0.82 ALDH1A1 (0.43) ALDH1A1CNR1CNR2GSRHPGD
SCHEMBL18415776 0.82 GPR3 (0.50) ALKBH5FTOALDH1A1CNR1CNR2
SCHEMBL16384688 0.82 CNR1 (0.42) ALKBH5FTOALDH1A1CYP2A6CNR1
SCHEMBL21587186 0.81 ALDH1A1 (0.39) ALKBH5FTOALDH1A1CYP2A6CNR1
SCHEMBL17988900 0.81 ALDH1A1 (0.42) ALDH1A1CNR1CNR2GSRHPGD
SCHEMBL6570705 0.81 TSHR (0.47) ALKBH5FTOALDH1A1KDM4ERAB9A

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
EP-3647392-A1 LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT Kyulux, Inc. (JP) 2020-05-06 EP disclosed