SCHEMBL6235953

SCHEMBL6235953

COc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
ERBB2 P04626 1/20 0.43
EPHA2 P29317 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK10 P53779 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6235697 0.88 NPY5R (0.39) ACP1KDRSMN1; SMN2TP53MAPT
SCHEMBL6232210 0.88 MAPT (0.45) ACP1SMN1; SMN2TP53MAPTNPC1
SCHEMBL6231257 0.84 MEN1 (0.42) ACP1SMN1; SMN2TP53MAPTNPC1
SCHEMBL6233510 0.84 MAPK14 (0.41) ACP1SMN1; SMN2TP53MAPTRAB9A
SCHEMBL6233225 0.84 POLB (0.51) ACP1SMN1; SMN2TP53MAPTNPC1
SCHEMBL6235120 0.84 NPY5R (0.47) ACP1SMN1; SMN2TP53MAPTKMT2A
SCHEMBL6235371 0.80 MAPT (0.42) ACP1SMN1; SMN2TP53MAPTGAA
SCHEMBL6236871 0.78 SMN1; SMN2 (0.66) ACP1SMN1; SMN2TP53MAPTNPC1
SCHEMBL6231880 0.78 THRB (0.55) ACP1ERBB2EPHA2KDRSMN1; SMN2
SCHEMBL6089017 0.78 POLA1 (0.43) ACP1ERBB2EPHA2KDRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed