SCHEMBL10858502

SCHEMBL10858502

Cc1ccc(C=C2CCn3c2nc2cc(NC(=O)CC(=O)O)ccc2c3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.63
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
BLM P54132 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MCL1 Q07820 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL10858499 1.00 NME2 (0.63) NME2KMT2AMEN1BLMMAPT
SCHEMBL10854802 0.93 NME2 (0.66) NME2KMT2AMEN1BLMMAPT
SCHEMBL10854809 0.93 NME2 (0.66) NME2KMT2AMEN1BLMMAPT
SCHEMBL10853554 0.93 NME2 (0.63) NME2KMT2AMEN1
SCHEMBL10853541 0.93 NME2 (0.63) NME2KMT2AMEN1
SCHEMBL10858630 0.92 NME2 (0.62) NME2KMT2AMEN1
SCHEMBL10858628 0.92 NME2 (0.62) NME2KMT2AMEN1
SCHEMBL10854883 0.91 NME2 (0.60) NME2KMT2AMEN1MAPTKDM4E
SCHEMBL10854890 0.91 NME2 (0.60) NME2KMT2AMEN1MAPTKDM4E
SCHEMBL10852367 0.90 NME2 (0.58) NME2KMT2AMEN1MAPTKDM4E

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