SCHEMBL10464801

SCHEMBL10464801

O=C(O)c1cnc2c(C(=O)O)cccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.50
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4A O75164 2/20 0.44
EGLN1 Q9GZT9 2/20 0.44
RAB9A P51151 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CDC25B P30305 2/20 0.43
KMT2A Q03164 1/20 0.42
PSMD14 O00487 1/20 0.41
ALOX15 P16050 2/20 0.40
PRNP P04156 1/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40
KDM4B O94953 1/20 0.40

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
SCHEMBL8875203 0.80 KMT2A (0.50) HAVCR2NR4A1NR4A2NR4A3KDM4E
SCHEMBL29634310 0.77 NR4A1 (0.56) HAVCR2NR4A1NR4A2NR4A3KDM4E
SCHEMBL352547 0.76 PDE10A (0.50) KDM4EALDH1A1KMT2AALOX15CYP3A4
SCHEMBL29450068 0.76 PDE10A (0.50) KDM4EALDH1A1KMT2AALOX15CYP3A4
SCHEMBL30503378 0.76 CCR1 (0.53) HAVCR2NR4A1NR4A2NR4A3KDM4E
SCHEMBL27891654 0.76 HAVCR2 (0.55) HAVCR2NR4A1NR4A2NR4A3KDM4E
SCHEMBL69905 0.74 KDM4E (0.74) NR4A1NR4A2NR4A3KDM4EL3MBTL1
SCHEMBL10465936 0.74 CYP1A2 (0.48) HAVCR2KDM4EL3MBTL1KDM4AEGLN1
SCHEMBL8080052 0.74 ALDH1A1 (0.64) NR4A1NR4A2NR4A3KDM4EALDH1A1
SCHEMBL10465495 0.74 KDM4E (0.54) KDM4EL3MBTL1KDM4AEGLN1RAB9A

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-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed