SCHEMBL28052675

SCHEMBL28052675

O=Cc1ccccc1-n1ccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
PRMT6 Q96LA8 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
POLB P06746 1/20 0.34
PDE9A O76083 1/20 0.34
IDH1 O75874 3/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 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
SCHEMBL16102191 0.80 ERN1 (0.38) NPC1MAPTRAB9APRMT6MEN1
SCHEMBL28600542 0.77 P2RX7 (0.38) MEN1LMNATHRBBLMKMT2A
SCHEMBL12854044 0.77 NPC1 (0.44) NPC1MAPTRAB9APRMT6MEN1
SCHEMBL2051188 0.76 NPC1 (0.47) NPC1MAPTRAB9APRMT6LMNA
SCHEMBL12380848 0.76 NPC1 (0.43) NPC1MAPTRAB9APRMT6NPSR1
SCHEMBL28589894 0.74 MEN1 (0.35) MEN1LMNATHRBBLMKMT2A
SCHEMBL28917820 0.74 MEN1 (0.35) MEN1LMNATHRBBLMKMT2A
SCHEMBL26028892 0.73 NPC1 (0.42) NPC1MAPTRAB9APRMT6MEN1
SCHEMBL8663944 0.73 NPC1 (0.42) NPC1MAPTRAB9APRMT6
SCHEMBL8664692 0.73 RAB9A (0.42) NPC1MAPTRAB9APRMT6MEN1

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
CN-105263920-A Fungicidal carboxamides DU PONT 2016-01-20 CN disclosed