SCHEMBL21972991

SCHEMBL21972991

N#Cc1c(-c2ccccc2)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C#N)c(-c2ccccc2)c1-c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE9A O76083 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL22417825 0.98 KDM4E (0.35) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL23544430 0.96 KDM4E (0.35) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL11942992 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL22384553 0.86 KMT2A (0.38) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL27367607 0.86 KDM4E (0.40) KDM4EATML3MBTL1KMT2APTPN1
SCHEMBL23268128 0.86 HTR3A (0.34) KDM4EPDE9APDE1CALDH1A1RXFP1
SCHEMBL21779718 0.85 L3MBTL1 (0.40) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL257569 0.85 KDM4E (0.43) KDM4EATML3MBTL1PTPN1HDAC4
SCHEMBL12234458 0.84 L3MBTL1 (0.41) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL23268106 0.83 HTR3A (0.34) KDM4EPDE9APDE1CALDH1A1RXFP1

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
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