SCHEMBL9712544

SCHEMBL9712544

O=[C]c1ccc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
CNR1 P21554 2/20 0.49
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47
CTRC Q99895 1/20 0.44
CNR2 P34972 1/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.43
SERPINE1 P05121 1/20 0.43
ACLY P53396 1/20 0.42
CHRNA7 P36544 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MDM2 Q00987 1/20 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
SCHEMBL9843692 0.90 ATM (0.50) CDC25BATMALDH1A1RAB9AMEN1
SCHEMBL11322771 0.83 SRD5A2 (0.49) CDC25BATMCHRNA7SRD5A2
SCHEMBL3154810 0.83 ALDH1A1 (0.52) NR4A1ATMCNR2CYP1A2NPC1
SCHEMBL8796385 0.82 SRD5A2 (0.55) NR4A1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL10624377 0.81 GSTA1 (0.64) NR4A1CNR1CDC25BATMCTRC
SCHEMBL9130311 0.80 NR4A1 (0.61) NR4A1CYP1A2NPC1ALDH1A1RAB9A
SCHEMBL9712382 0.78 RAB9A (0.48) NR4A1CNR1CNR2NPC1ALDH1A1
SCHEMBL9712369 0.78 MDM2 (0.47) NR4A1RAB9AMEN1KMT2AMDM2
SCHEMBL10874927 0.78 SRD5A2 (0.65) NR4A1CNR1CDC25BATMCTRC
SCHEMBL10934884 0.74 POLB (0.68) CYP1A2NPC1ALDH1A1RAB9AMEN1

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