SCHEMBL15630438

SCHEMBL15630438

CSC(Oc1cc(C)c2ncc(Br)cc2c1)C(=O)NCC1CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CNR1 P21554 1/20 0.31
AR P10275 1/20 0.31
OPRK1 P41145 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PTGIR P43119 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR88 Q9GZN0 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL15630205 0.90 ADRA2A (0.32) MEN1KMT2ASMN1; SMN2OPRK1PIM1
SCHEMBL15619279 0.89 MEN1 (0.32) MEN1KMT2ASMN1; SMN2CNR1PTGIR
SCHEMBL15630218 0.86 MEN1 (0.33) MEN1KMT2ASMN1; SMN2CNR1POLB
SCHEMBL535211 0.81 TDP1 (0.32) SMN1; SMN2TDP1
SCHEMBL14869176 0.80 LMNA (0.30)
SCHEMBL158453 0.77 AAK1 (0.32) MEN1KMT2A
SCHEMBL3106096 0.76 AAK1 (0.33)
SCHEMBL15630270 0.76 POLB (0.34) MEN1KMT2ASMN1; SMN2POLBCTDSP1
SCHEMBL3110409 0.76 HTT (0.33) SMN1; SMN2POLB
SCHEMBL2869073 0.76 AAK1 (0.36)

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
WO-2014044642-A1 N-CYCLOPROPYLMETHYL-2-(QUINOLIN-6-YLOXY)-ACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-03-27 WO disclosed