SCHEMBL10849239

SCHEMBL10849239

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

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.65
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 1/20 0.55

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
SCHEMBL10849232 1.00 NME2 (0.65) NME2MEN1KMT2APOLB
SCHEMBL10858630 0.93 NME2 (0.62) NME2MEN1KMT2APOLB
SCHEMBL10858628 0.93 NME2 (0.62) NME2MEN1KMT2APOLB
SCHEMBL10854809 0.92 NME2 (0.66) NME2MEN1KMT2APOLB
SCHEMBL10854802 0.92 NME2 (0.66) NME2MEN1KMT2APOLB
SCHEMBL10858737 0.92 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10858731 0.92 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10858584 0.89 NME2 (0.62) NME2MEN1KMT2APOLB
SCHEMBL10858565 0.89 NME2 (0.62) NME2MEN1KMT2APOLB
SCHEMBL10855578 0.88 NME2 (0.61) NME2MEN1KMT2APOLB

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