SCHEMBL23715745

SCHEMBL23715745

CCN(CC)c1cc(C(=O)O)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
GPR35 Q9HC97 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CRHR1 P34998 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL23715885 0.83 SCN9A (0.35) KDM4EKMT2AKMOTDP1GPR35
SCHEMBL1425683 0.81 ALOX15 (0.38) KDM4EKMT2ATDP1GPR35ALOX15
SCHEMBL7878295 0.75 LMNA (0.62) KDM4EKMOTDP1LMNAGPR35
SCHEMBL1603021 0.74 KMT2A (0.67) KDM4EKMT2ATDP1MAPTTP53
SCHEMBL17281038 0.74 KMO (0.45) KDM4EKMT2AKMOTDP1LMNA
SCHEMBL11677713 0.73 KMT2A (0.51) KDM4EKMT2ATDP1ALOX15TSHR
SCHEMBL3114617 0.73 PIK3CA (0.48) KDM4ELMNAHTTNAPEPLD
SCHEMBL3407231 0.73 KMT2A (0.62) KDM4EKMT2ALMNAMAPTHTT
SCHEMBL12484062 0.72 KMT2A (0.46) KDM4EKMT2AHTTCRHR1
SCHEMBL23715962 0.72 KMT2A (0.51) KDM4EKMT2ALMNAMAPTTP53

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-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 WO disclosed