SCHEMBL9848044

SCHEMBL9848044

CNC(=O)n1cc([C](C)c2cn(C(N)=O)c3ccccc23)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.46
MEN1 O00255 2/20 0.46
CREBBP Q92793 4/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
EP300 Q09472 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12479933 0.81 KMT2A (0.51) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL9848046 0.81 OXER1 (0.43) KDM4ELMNAL3MBTL1
SCHEMBL8359818 0.81 KMT2A (0.60) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL21725009 0.77 KMT2A (0.49) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL12479862 0.76 ALDH1A1 (0.48) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL8528867 0.74 KMT2A (0.43) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL8528870 0.74 TFPI2 (0.47) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL15597217 0.73 KDM4E (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL30394690 0.71 CREBBP (0.58) KMT2AMEN1CREBBPALDH1A1KDM4E
SCHEMBL12479991 0.71 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4ETHRB

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
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed