SCHEMBL10855165

SCHEMBL10855165

CCN(C(=O)C=CC(=O)O)c1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ ALOX5 P09917 2/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ BLM P54132 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10855160 1.00 KMT2A (0.51) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10850156 0.89 KMT2A (0.54) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10852940 0.89 KMT2A (0.54) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10852735 0.89 KMT2A (0.54) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10852732 0.89 KMT2A (0.54) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10859099 0.84 KMT2A (0.51) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10859094 0.84 KMT2A (0.51) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10852380 0.81 KMT2A (0.53) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10849598 0.80 KMT2A (0.56) KMT2AMEN1ALOX5RAB9ANPC1
SCHEMBL10851747 0.80 KMT2A (0.54) KMT2AMEN1ALOX5RAB9ANPC1

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
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