SCHEMBL9712504

SCHEMBL9712504

O=[C]c1cccc(C(=O)c2ccc(Cl)cc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
MGLL Q99685 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
SCHEMBL525385 0.85 AKR1C3 (0.48) NR4A1SRD5A2MEN1KMT2AMAPT
SCHEMBL9712444 0.84 NR4A1 (0.53) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL9130311 0.83 NR4A1 (0.61) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL9712350 0.81 NR4A1 (0.50) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL8574956 0.81 NR4A1 (0.50) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL9712502 0.81 PLK1 (0.41) MEN1RAB9AKMT2AMAPTTDP1
SCHEMBL9712500 0.76 SRD5A2 (0.44) NR4A1SRD5A2MAPK1ALDH1A1CES2
SCHEMBL9712369 0.75 MDM2 (0.47) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL3444656 0.73 NR4A1 (0.84) NR4A1SRD5A2MAPK1MEN1RAB9A
SCHEMBL9712451 0.73 HTT (0.42) NR4A1SRD5A2MAPK1MEN1RAB9A

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed