SCHEMBL9308040

SCHEMBL9308040

O=C(O)c1cc2ncccc2cc1C(=O)OC(=O)c1cc2cccnc2cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
ALOX15 P16050 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
NAPRT Q6XQN6 2/20 0.41

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
SCHEMBL69942 0.90 MCL1 (0.58) MCL1ALOX15HTTKDM4ETDP1
SCHEMBL29415446 0.90 MCL1 (0.58) MCL1ALOX15HTTKDM4ETDP1
SCHEMBL27402305 0.88 ALOX15 (0.58) MCL1ALOX15HTTKDM4ETDP1
SCHEMBL30905576 0.88 ALOX15 (0.58) MCL1ALOX15HTTKDM4ETDP1
SCHEMBL30905588 0.81 ALOX15 (0.65) ALOX15HTTKDM4ETDP1ALDH1A1
SCHEMBL70306 0.81 ALOX15 (0.65) ALOX15HTTKDM4ETDP1ALDH1A1
SCHEMBL628515 0.79 IDO1 (0.57) ALOX15KDM4ETDP1ALDH1A1MAPT
SCHEMBL28336465 0.79 MCL1 (0.66) MCL1ALOX15KDM4ETDP1ALDH1A1
SCHEMBL2201880 0.79 MCL1 (0.66) MCL1ALOX15KDM4ETDP1ALDH1A1
SCHEMBL23660925 0.78 MCL1 (0.52) MCL1ALOX15HTTKDM4ETDP1

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed