SCHEMBL9009142

SCHEMBL9009142

CN(C(=O)Cl)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
POLQ O75417 9/20 0.40
KCNH2 Q12809 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KMO O15229 2/20 0.39
KDR P35968 1/20 0.37
P2RX1 P51575 1/20 0.36
XPO1 O14980 1/20 0.35

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
SCHEMBL28901346 0.87 KDR (0.47) NOTUMNR1H4POLQGPBAR1KDR
SCHEMBL1039397 0.79 AR (0.45) NOTUMNR1H4KCNH2KMO
SCHEMBL11722664 0.79 APEX1 (0.44) NR1H4GPBAR1
SCHEMBL30638922 0.78 ALDH1A1 (0.51) POLQMEN1KMT2A
SCHEMBL27712572 0.77 NOTUM (0.41) NOTUMPOLQKCNH2GPBAR1MEN1
SCHEMBL11676265 0.75 MLYCD (0.41) NOTUMPOLQKCNH2GPBAR1MEN1
SCHEMBL7682737 0.74 SMN1; SMN2 (0.50) POLQGPBAR1
SCHEMBL8601016 0.72 TP53 (0.49) POLQMEN1KMT2AP2RX1
SCHEMBL1942998 0.72 POLQ (0.41) NOTUMPOLQGPBAR1KMT2AKMO
SCHEMBL22452934 0.71 KIF11 (0.40) NOTUMKCNH2

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
US-5525622-A PESTICIDES; INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed