SCHEMBL10850601

SCHEMBL10850601

Nc1ccc(C=C2CCn3c2nc2cc(NC(=O)C(=O)O)ccc2c3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ NME2 P22392 1/20 0.57
▸ BLM P54132 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MCL1 Q07820 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10850597 1.00 KMT2A (0.58) KMT2AMEN1NME2BLMMAPT
SCHEMBL10853563 0.92 MEN1 (0.54) KMT2AMEN1NME2BLMMAPT
SCHEMBL10853548 0.92 MEN1 (0.54) KMT2AMEN1NME2BLMMAPT
SCHEMBL10853557 0.92 MEN1 (0.54) KMT2AMEN1NME2BLMMAPT
SCHEMBL10849487 0.91 KMT2A (0.59) KMT2AMEN1NME2BLMMAPT
SCHEMBL10849496 0.91 KMT2A (0.59) KMT2AMEN1NME2BLMMAPT
SCHEMBL10851910 0.91 MEN1 (0.58) KMT2AMEN1NME2BLMMAPT
SCHEMBL10851904 0.91 MEN1 (0.58) KMT2AMEN1NME2BLMMAPT
SCHEMBL10854930 0.91 MEN1 (0.58) KMT2AMEN1NME2
SCHEMBL10854513 0.91 KMT2A (0.68) KMT2AMEN1NME2MAPTKDM4E

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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