SCHEMBL21345205

SCHEMBL21345205

Cc1ccc2cc3ccc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
THRB P10828 1/20 0.41
TERT O14746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL3727451 0.94 MEN1 (0.48) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL3727450 0.94 MEN1 (0.48) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL3777963 0.83 CYP17A1 (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3777965 0.83 CYP17A1 (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL13062960 0.83 CYP17A1 (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL3778074 0.79 POLB (0.43) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL3778070 0.79 POLB (0.43) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL13785800 0.79 POLB (0.43) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL21017931 0.78 KDM4E (0.44) MAPTKDM4ERAB9ANPC1GLA
SCHEMBL10092627 0.78 CYP17A1 (0.48) SMN1; SMN2MAP4K4NR1H4

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
WO-2019173270-A1 ANTIMICROBIAL POLY(GUANYLUREA)S THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2019-09-12 WO disclosed