SCHEMBL23052171

SCHEMBL23052171

O=C(c1cccs1)N1N=C(c2cccs2)CC1c1cccc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ KDM4E B2RXH2 8/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ OPRK1 P41145 1/20 0.56
▸ MEN1 O00255 4/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.53
▸ ADRB2 P07550 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KIF11 P52732 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ BRAF P15056 1/20 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
SCHEMBL23052541 0.83 KDM4E (0.73) LMNAMAPTKDM4EKMT2ANPSR1
SCHEMBL14541099 0.76 GPR55 (0.74) LMNAMAPTKDM4EKMT2ANPSR1
SCHEMBL14541097 0.73 PRKCZ (0.68) LMNAMAPTKDM4EKMT2ANPSR1
SCHEMBL14541143 0.72 KMT2A (0.70) LMNAKDM4EKMT2ANPSR1HPGD
SCHEMBL5303942 0.70 GPR55 (0.69) LMNAKDM4EKMT2ANPSR1HPGD
SCHEMBL14540783 0.70 KMT2A (0.64) LMNAKDM4EKMT2ANPSR1HPGD
SCHEMBL14541111 0.70 KMT2A (0.62) LMNAMAPTKDM4EKMT2ANPSR1
SCHEMBL23052519 0.70 GPR55 (0.77) LMNAKDM4EKMT2AHPGDHTT
SCHEMBL14132789 0.70 KMT2A (0.72) LMNAMAPTKDM4EKMT2ANPSR1
SCHEMBL14541086 0.69 KMT2A (0.65) LMNAMAPTKDM4EKMT2ANPSR1

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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