SCHEMBL23598610

SCHEMBL23598610

CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C#N)c(C#N)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ USP2 O75604 5/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HTT P42858 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ IDO1 P14902 1/20 0.53
▸ HAT1 O14929 4/20 0.48
▸ RBBP7 Q16576 4/20 0.48
▸ KAT7 O95251 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ RECQL P46063 3/20 0.46
▸ CASP7 P55210 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ BRCA1 P38398 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46

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
SCHEMBL24636097 0.92 MEN1 (0.50) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23578704 0.91 MEN1 (0.49) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598611 0.88 MEN1 (0.50) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598608 0.88 MEN1 (0.53) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL24636077 0.86 MEN1 (0.48) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598569 0.84 MEN1 (0.49) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL20906884 0.84 MEN1 (0.71) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598685 0.84 MEN1 (0.48) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598654 0.83 MEN1 (0.55) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL23598553 0.83 KDM4E (0.44) KDM4EMEN1KMT2AUSP2MAPT

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
WO-2021133144-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME 주식회사 아이센스 2021-07-01 — — WO disclosed
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