SCHEMBL11261371

SCHEMBL11261371

FC(F)(F)Oc1ccc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.39
CBFB Q13951 3/20 0.36
RUNX1 Q01196 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CES1 P23141 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 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
SCHEMBL11247702 0.88 GPR3 (0.40) GPR3CBFBRUNX1TRPV1KIF11
SCHEMBL11262400 0.86 CYP1A2 (0.40) GPR3CBFBRUNX1TRPV1KIF11
SCHEMBL11250888 0.85 PIM1 (0.42) GPR3CBFBRUNX1TRPV1KIF11
SCHEMBL11246933 0.81 PTGES (0.43) POLBGAAPTGES
SCHEMBL11250776 0.80 ABCC8 (0.44) CBFBTRPV1PTGES
SCHEMBL11267114 0.79 TRPV1 (0.45) TRPV1CYP1A2SCN5ASCN9ASCN2A
SCHEMBL11262992 0.77 AKR1C3 (0.33) POLBGAAPTGES
SCHEMBL11258445 0.77 ABCC8 (0.36) POLBGAAPTGES
SCHEMBL11253005 0.76 NOTUM (0.53) KDM4ENPC1RAB9ALMNACYP3A4
SCHEMBL11245992 0.74 HDAC3 (0.41) NPSR1CES1PTGES

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed