SCHEMBL2860460

SCHEMBL2860460

COc1ccc(-n2ncc(OC(=O)Nc3cccc4cccnc34)c2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
MECP2 P51608 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
RAB9A P51151 3/20 0.47
TNKS O95271 3/20 0.46
GLO1 Q04760 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
POLB P06746 4/20 0.45
HCRTR1 O43613 1/20 0.45
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2854574 0.90 HSP90AA1 (0.51) MAPTSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL2860254 0.84 RAB9A (0.60) MAPTTP53MAPK1MECP2SMN1; SMN2
SCHEMBL2852417 0.81 MAPT (0.49) MAPTTP53SMN1; SMN2LMNAKMT2A
SCHEMBL2859099 0.78 NPC1 (0.50) MAPTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL2850131 0.78 RAB9A (0.61) MAPTTP53SMN1; SMN2LMNAHPGD
SCHEMBL2856979 0.78 RAB9A (0.46) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2850383 0.76 KMT2A (0.47) MAPTMAPK1SMN1; SMN2LMNAKMT2A
SCHEMBL2854503 0.76 KDR (0.47) MAPTSMN1; SMN2LMNAHPGDKMT2A
SCHEMBL2853255 0.76 HSP90AA1 (0.48) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2850858 0.76 KDR (0.48) MAPTSMN1; SMN2LMNAHPGDKMT2A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed