SCHEMBL10855190

SCHEMBL10855190

CN(C(=O)c1cccc(C(=O)O)c1)c1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.61
▸ MEN1 O00255 9/20 0.61
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ ALOX5 P09917 1/20 0.50

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
SCHEMBL10849598 0.86 KMT2A (0.56) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11083582 0.84 KMT2A (0.82) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL11083586 0.84 KMT2A (0.82) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10851747 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10852732 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10852940 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10852735 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10854545 0.82 KMT2A (0.53) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10858866 0.82 KMT2A (0.53) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10855762 0.82 KMT2A (0.62) KMT2AMEN1MAPTKDM4ERAB9A

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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