SCHEMBL23052089

SCHEMBL23052089

O=C(c1ccco1)N1N=C(c2ccco2)CC1c1ccc2nccnc2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ MEN1 O00255 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.53
▸ XDH P47989 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50

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
SCHEMBL23052349 0.82 POLB (0.66) KMT2ALMNAALDH1A1XDHKDM4E
SCHEMBL14133478 0.81 PKM (0.75) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL23052458 0.68 ALDH1A1 (0.80) ALDH1A1XDH
SCHEMBL23268895 0.68 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1XDH
SCHEMBL14540778 0.68 ALDH1A1 (0.56) ALDH1A1XDHMAOAMAOB
SCHEMBL18651478 0.68 MAOA (0.68) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL23052332 0.67 KMT2A (0.73) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL14540721 0.67 ALDH1A1 (0.66) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL14540722 0.67 ALDH1A1 (0.55) ALDH1A1XDHMAOAMAOB
SCHEMBL20989162 0.67 KMT2A (0.78) KMT2ALMNAMEN1NPSR1ALDH1A1

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-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
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