SCHEMBL10852452

SCHEMBL10852452

CC(C)Oc1cccc(C=C2CCn3c2nc2cc(NC(=O)C(Cl)=C(Cl)C(=O)O)ccc2c3=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
NME2 P22392 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX5 P09917 1/20 0.45
BLM P54132 1/20 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
SCHEMBL10852443 1.00 KMT2A (0.52) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10852438 1.00 KMT2A (0.52) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10856944 0.93 KMT2A (0.54) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10856936 0.93 KMT2A (0.54) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10849817 0.92 KMT2A (0.54) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10849813 0.92 KMT2A (0.54) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10849806 0.92 KMT2A (0.54) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10855793 0.92 KMT2A (0.53) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10855784 0.92 KMT2A (0.53) KMT2AMEN1NME2MAPTALDH1A1
SCHEMBL10855790 0.92 KMT2A (0.53) KMT2AMEN1NME2MAPTALDH1A1

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
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 US disclosed