SCHEMBL10855751

SCHEMBL10855751

COc1cccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCN(C)CC4)ccc2c3=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NME2 P22392 2/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 2/20 0.47

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
SCHEMBL10856136 0.93 NME2 (0.54) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10858744 0.92 NME2 (0.60) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10852249 0.90 NME2 (0.61) NME2MEN1KMT2ABCHE
SCHEMBL10857243 0.88 NME2 (0.55) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10857248 0.88 NME2 (0.55) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10860722 0.88 NME2 (0.57) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10860709 0.88 NME2 (0.57) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10853989 0.87 NME2 (0.64) NME2MEN1KMT2ABCHE
SCHEMBL10856141 0.87 NME2 (0.62) NME2MEN1KMT2ARAB9AKDM4E
SCHEMBL10850719 0.85 NME2 (0.58) NME2MEN1KMT2AMAPTALDH1A1

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