SCHEMBL11241250

SCHEMBL11241250

COc1cccc2cc(C(=O)ONc3ccccc3O)cnc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.59
PSMD14 O00487 1/20 0.48
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
AHR P35869 1/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2200731 0.82 HPGDS (0.75) HPGDSPSMD14MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11240705 0.77 HPGDS (0.55) HPGDSPSMD14
SCHEMBL2671823 0.75 HPGDS (0.72) HPGDSPSMD14MEN1KMT2AMAPT
SCHEMBL2201682 0.75 PSMD14 (0.70) HPGDSPSMD14KDM4E
SCHEMBL4721861 0.75 HPGDS (0.64) HPGDSPSMD14MEN1KMT2ANPC1
SCHEMBL8614022 0.74 HPGDS (0.71) HPGDSPSMD14MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6086439 0.74 HPGDS (0.71) HPGDSPSMD14MEN1KMT2AMAPT
SCHEMBL4410083 0.72 HPGDS (0.67) HPGDSPSMD14MEN1KMT2AHPGD
SCHEMBL4145910 0.72 HPGDS (0.67) HPGDSPSMD14MEN1KMT2AMAPT
SCHEMBL11666623 0.71 MEN1 (0.60) MEN1KMT2AMAPTHPGDRAB9A

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-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed