SCHEMBL7888129

SCHEMBL7888129

CCCN(COc1c(Cl)cc(Cl)cc1Cl)C(=O)Nc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
NPSR1 Q6W5P4 1/20 0.39
FFAR2 O15552 1/20 0.38
PTGES O14684 5/20 0.38
CRHR1 P34998 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FGFR3 P22607 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL54526 0.90 AHR (0.54) AHRNPSR1FFAR2PTGESCRHR1
SCHEMBL54525 0.80 PTGES (0.41) AHRFFAR2PTGESCRHR1SMN1; SMN2
SCHEMBL5082576 0.73 AHR (0.57) AHRNPSR1CRHR1MEN1CYP1A2
SCHEMBL14822754 0.70 AHR (0.82) AHRCRHR1MEN1CYP1A2CYP3A4
SCHEMBL11204376 0.68 AHR (0.52) AHRCRHR1MEN1CYP1A2CYP3A4
SCHEMBL29944970 0.67 AHR (0.56) AHRNPSR1CRHR1MEN1CYP1A2
SCHEMBL28427829 0.67 AHR (0.61) AHRNPSR1CRHR1MEN1CYP1A2
Imidazole SCHEMBL6432298 0.66 AHR (0.57) AHRCRHR1MEN1CYP1A2CYP3A4
SCHEMBL29450705 0.66 AHR (0.60) AHRNPSR1CRHR1MEN1CYP1A2
SCHEMBL11201887 0.65 AHR (0.59) AHRNPSR1CRHR1MEN1CYP1A2

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-6187816-B1 CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed