SCHEMBL4648738

SCHEMBL4648738

Cn1cc(OC(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)c(C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NTRK1 P04629 3/20 0.36
NPC1 O15118 3/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 3/20 0.34
MAPT P10636 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 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
SCHEMBL3039851 0.86 CHRM3 (0.44) NPC1KMT2ARAB9AMAPTCHRM3
SCHEMBL4850213 0.86 CHRM3 (0.47) NTRK1NPC1KMT2ACHRM3
SCHEMBL3041879 0.85 CHRM3 (0.42) NPC1POLBKMT2AMEN1CHRM3
SCHEMBL4838355 0.85 TACR1 (0.43) NTRK1NPC1CHRM3
SCHEMBL2843544 0.84 CHRM3 (0.46) NPC1RAB9ACHRM3
SCHEMBL4975597 0.84 CHRM3 (0.34) LMNAKMT2AMEN1RAB9AMAPT
SCHEMBL4685515 0.84 CHRM3 (0.49) NTRK1NPC1MAPTCHRM3
SCHEMBL3540384 0.82 NTRK1 (0.45) LMNANTRK1POLBSMN1; SMN2
SCHEMBL29779352 0.82 NTRK1 (0.45) LMNANTRK1POLBSMN1; SMN2
SCHEMBL3805880 0.82 CHRM3 (0.48) NPC1KMT2AMEN1RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881964-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2008-01-30 EP claimed
WO-2006120219-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 WO claimed
EP-1881964-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2008-01-30 EP disclosed
WO-2006120219-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 WO disclosed