SCHEMBL10850427

SCHEMBL10850427

Cc1cccc(/C=C2\CCn3c2nc2cc(NC(=O)CCC(=O)O)ccc2c3=O)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NME2 P22392 2/20 0.60
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL10850430 1.00 NME2 (0.60) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10852358 0.94 NME2 (0.58) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10852367 0.94 NME2 (0.58) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10858731 0.93 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10858737 0.93 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10854802 0.91 NME2 (0.66) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10854809 0.91 NME2 (0.66) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10860722 0.90 NME2 (0.57) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10860709 0.90 NME2 (0.57) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10857809 0.89 MEN1 (0.56) NME2MEN1KMT2AKDM4EMAPT

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