SCHEMBL5430872

SCHEMBL5430872

CCOc1cc(OCC)cc(C(=O)Nc2cccc(Oc3ccnc(C(N)=O)c3C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
TSHR P16473 2/20 0.53
PLAU P00749 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GCK P35557 2/20 0.46
BRAF P15056 2/20 0.46
MAPK1 P28482 2/20 0.45

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
SCHEMBL5430848 0.76 KMT2A (0.58) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL5443657 0.71 KMT2A (0.54) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL27824621 0.71 PLAU (0.48) KMT2AMEN1TSHRPLAUSMN1; SMN2
SCHEMBL5335728 0.70 KMT2A (0.53) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL30448050 0.70 BRAF (0.52) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL28471698 0.70 BRAF (0.52) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL27824608 0.69 GCK (0.48) KMT2AMEN1TSHRPLAUSMN1; SMN2
SCHEMBL14284584 0.69 GRM4 (0.52) KMT2AMEN1SMN1; SMN2HTTMAPT
SCHEMBL10294799 0.69 KMT2A (0.78) KMT2AMEN1TSHRPLAUSMN1; SMN2
SCHEMBL27824617 0.69 PLAU (0.51) KMT2AMEN1PLAUSMN1; SMN2LMNA

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-2007076474-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed