SCHEMBL10858630

SCHEMBL10858630

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

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.62
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 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
SCHEMBL10858628 1.00 NME2 (0.62) NME2MEN1KMT2APOLB
SCHEMBL10849239 0.93 NME2 (0.65) NME2MEN1KMT2APOLB
SCHEMBL10849232 0.93 NME2 (0.65) NME2MEN1KMT2APOLB
SCHEMBL10858499 0.92 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10858502 0.92 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10853554 0.92 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10853541 0.92 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10854930 0.89 MEN1 (0.58) NME2MEN1KMT2A
SCHEMBL10854925 0.89 MEN1 (0.58) NME2MEN1KMT2A
SCHEMBL10854883 0.89 NME2 (0.60) 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