SCHEMBL22909309

SCHEMBL22909309

N#Cc1ccc(N2N=C(c3ccc(Cl)cc3)CC2=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.55
CD274 Q9NZQ7 6/20 0.48
PDCD1 Q15116 4/20 0.48
NR3C2 P08235 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CASP6 P55212 1/20 0.39
TDP1 Q9NUW8 4/20 0.36
GAA P10253 3/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.35
MIF P14174 2/20 0.35
HSD17B3 P37058 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 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
SCHEMBL22908674 0.86 KMT2A (0.70) KMT2AMAPTMEN1LMNACD274
SCHEMBL10435326 0.78 MAPT (0.75) KMT2AMAPTMEN1LMNACD274
SCHEMBL22908646 0.76 KMT2A (0.61) KMT2AMAPTMEN1LMNACD274
SCHEMBL22908712 0.75 KMT2A (0.60) KMT2AMAPTMEN1LMNACD274
SCHEMBL7399166 0.74 PDCD1 (0.53) KMT2AMAPTMEN1LMNACD274
SCHEMBL22909489 0.73 CD274 (0.57) KMT2AMAPTMEN1LMNACD274
SCHEMBL22908683 0.71 KMT2A (0.58) KMT2AMAPTMEN1LMNACD274
SCHEMBL9770297 0.70 MAPT (0.60) KMT2AMAPTMEN1LMNACD274
SCHEMBL22909301 0.69 KMT2A (0.62) KMT2AMAPTMEN1LMNACD274
SCHEMBL11727835 0.69 CD274 (0.66) KMT2AMAPTMEN1LMNACD274

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-2021009384-A1 NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2021-01-21 WO disclosed