SCHEMBL2581647

SCHEMBL2581647

N#Cc1cccc(C(=O)O)c1-n1ccc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37

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
SCHEMBL16719405 0.84 RAB9A (0.44) ALBNR4A1NR4A2NR4A3KMT2A
SCHEMBL16719408 0.81 ACMSD (0.36) ALBNR4A1NR4A2NR4A3KMT2A
Pyridine SCHEMBL16720481 0.80 SLC6A2 (0.37) NR4A1NR4A2NR4A3KMT2ATSHR
SCHEMBL16720476 0.79 NPC1 (0.37) NR4A1NR4A2NR4A3KMT2ARAB9A
SCHEMBL484191 0.79 FABP4 (0.44) NR4A1NR4A2NR4A3KMT2ATSHR
SCHEMBL2581642 0.78 ALDH1A1 (0.40) ALBNR4A1NR4A2NR4A3KMT2A
SCHEMBL4885758 0.77 TSHR (0.46) TSHRL3MBTL1PRKD3PRKCGPRKCB
SCHEMBL28436731 0.73 L3MBTL1 (0.56) NR4A1NR4A2NR4A3KMT2ATSHR
SCHEMBL8926318 0.73 HTR3A (0.45) KMT2ATSHRRAB9AL3MBTL1POLB
SCHEMBL699112 0.71 BIRC5 (0.43) KMT2ATSHRPRKD3PRKCGPRKCB

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
EP-2383573-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER Astellas Pharma Inc. (JP) 2011-11-02 EP disclosed