SCHEMBL16200074

SCHEMBL16200074

Cn1nc(C(F)(F)F)c(Cl)c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD11B1 P28845 7/20 0.39
LMNA P02545 2/20 0.39
PDE10A Q9Y233 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
NOTUM Q6P988 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL14139212 0.85 POLB (0.40) POLBHSD11B1PDE10ACYP1A2CYP2D6
SCHEMBL13430367 0.80 POLB (0.54) POLBLMNAPTGS1PTGS2CYP1A2
SCHEMBL16200058 0.76 HSD11B1 (0.40) POLBHSD11B1PDE10ACYP1A2MBNL1
SCHEMBL13066522 0.75 SMN1; SMN2 (0.46) POLBLMNASMN1; SMN2PTGS1PTGS2
SCHEMBL13682914 0.75 P2RX7 (0.44) POLBLMNAPDE10ASMN1; SMN2CYP1A2
SCHEMBL14039660 0.74 POLB (0.41) POLBLMNASMN1; SMN2PTGS1PTGS2
SCHEMBL13683098 0.72 KIF11 (0.39) POLBSMN1; SMN2PTGS1PTGS2
SCHEMBL13066524 0.72 MEN1 (0.46) POLBPTGS1PTGS2
SCHEMBL13738167 0.71 MAPT (0.40) HSD11B1SMN1; SMN2MBNL1
SCHEMBL13683096 0.71 LMNA (0.46) POLBLMNASMN1; SMN2CYP1A2CYP3A4

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed