SCHEMBL23598674

SCHEMBL23598674

N#Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(Cc3ccccc3)c2cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ HTT P42858 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HAT1 O14929 3/20 0.44
▸ RBBP7 Q16576 3/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ USP2 O75604 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ CFTR P13569 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ CASP1 P29466 2/20 0.41
▸ BRCA1 P38398 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HSD17B10 Q99714 2/20 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
SCHEMBL23598910 0.90 KMT2A (0.44) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL24636095 0.87 MEN1 (0.42) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23598635 0.87 DCTPP1 (0.46) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23598575 0.84 MEN1 (0.43) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23598611 0.83 MEN1 (0.50) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23578704 0.83 MEN1 (0.49) KDM4EHTTALDH1A1HPGDHAT1
SCHEMBL23598553 0.82 KDM4E (0.44) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL9637273 0.81 ALDH1A1 (0.62) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23598610 0.81 KDM4E (0.53) KDM4EHTTALDH1A1HPGDGAA
SCHEMBL23598608 0.81 MEN1 (0.53) KDM4EHTTALDH1A1HPGDHAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4083043-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME I-SENS, INC. (KR) 2022-11-02 — — EP disclosed
WO-2021133144-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME 주식회사 아이센스 2021-07-01 — — WO disclosed
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