SCHEMBL8645161

SCHEMBL8645161

CNN=Cc1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
ANO1 Q5XXA6 1/20 0.39
MAPT P10636 6/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 4/20 0.38
GUSB P08236 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37

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
SCHEMBL24278914 1.00 LMNA (0.41) LMNAANO1MAPTRAB9ASMN1; SMN2
SCHEMBL8645438 0.81 MAPT (0.50) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL22925150 0.81 RAB9A (0.54) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1614008 0.79 GRIN2D (0.40) LMNAANO1MAPTRAB9ASMN1; SMN2
SCHEMBL17560756 0.78 LMNA (0.47) LMNAANO1MAPTRAB9ASMN1; SMN2
SCHEMBL17560757 0.78 LMNA (0.47) LMNAANO1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL19434705 0.77 LMNA (0.46) LMNAANO1MAPTRAB9ASMN1; SMN2
SCHEMBL17598764 0.77 LMNA (0.46) LMNAANO1MAPTRAB9ASMN1; SMN2
SCHEMBL31136730 0.76 PDE2A (0.39) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL17560971 0.76 LMNA (0.45) LMNAANO1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862558-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed