SCHEMBL10850042

SCHEMBL10850042

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.63
▸ MEN1 O00255 8/20 0.63
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NME2 P22392 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MCL1 Q07820 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL10850033 1.00 KMT2A (0.63) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10850039 1.00 KMT2A (0.63) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10853966 0.92 MEN1 (0.55) KMT2AMEN1NME2
SCHEMBL10849660 0.92 MEN1 (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10853962 0.92 MEN1 (0.55) KMT2AMEN1NME2
SCHEMBL10853970 0.92 MEN1 (0.55) KMT2AMEN1NME2
SCHEMBL10849666 0.92 MEN1 (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10849672 0.92 MEN1 (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL10857181 0.92 MEN1 (0.54) KMT2AMEN1NME2
SCHEMBL10857176 0.92 MEN1 (0.54) KMT2AMEN1NME2

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
Send feedback