SCHEMBL23052037

SCHEMBL23052037

O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 0.64
MAPT P10636 4/20 0.64
HTT P42858 1/20 0.64
ALDH1A1 P00352 2/20 0.64
MAOB P27338 2/20 0.60
MAOA P21397 1/20 0.60
LMNA P02545 2/20 0.59
RECQL P46063 1/20 0.59
POLB P06746 2/20 0.56
P4HB P07237 1/20 0.53
TERT O14746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL23052401 1.00 KMT2A (1.00) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL3314124 0.84 KMT2A (0.71) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL23052565 0.78 MAPT (1.00) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL23052501 0.77 KMT2A (0.65) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL9649368 0.75 MAOB (0.69) KMT2AMEN1MAPTALDH1A1MAOB
SCHEMBL23052500 0.75 KMT2A (0.65) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL27918012 0.75 MAOB (0.64) KMT2AMEN1MAOBMAOALMNA
SCHEMBL23052112 0.74 KMT2A (0.71) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL23052547 0.72 KMT2A (1.00) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL23052092 0.72 LMNA (0.78) KMT2AMEN1MAPTHTTALDH1A1

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