SCHEMBL10851452

SCHEMBL10851452

O=C(O)C(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccc(F)cc1)CC3

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.71
▸ KMT2A Q03164 7/20 0.71
▸ NME2 P22392 2/20 0.57
▸ BLM P54132 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 1/20 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

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
SCHEMBL10851444 1.00 MEN1 (0.71) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10849505 0.92 MEN1 (0.66) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10849500 0.92 MEN1 (0.66) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10849495 0.92 MEN1 (0.66) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10849487 0.91 KMT2A (0.59) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10849496 0.91 KMT2A (0.59) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10851904 0.91 MEN1 (0.58) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10851910 0.91 MEN1 (0.58) MEN1KMT2ANME2BLMKDM4E
SCHEMBL10854930 0.91 MEN1 (0.58) MEN1KMT2ANME2
SCHEMBL10854925 0.91 MEN1 (0.58) MEN1KMT2ANME2

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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