SCHEMBL9494044

SCHEMBL9494044

NC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
MAPT P10636 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
AHR P35869 1/20 0.64
LMNA P02545 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.58
KCNH2 Q12809 1/20 0.58
HPGD P15428 1/20 0.56
DHODH Q02127 2/20 0.55
HTT P42858 1/20 0.52
MAPK14 Q16539 1/20 0.51
GRM4 Q14833 2/20 0.50
KDR P35968 2/20 0.50
MAP2K2 P36507 1/20 0.50
MAP2K1 Q02750 1/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL29898281 0.88 LMNA (0.67) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824947 0.88 LMNA (0.67) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL2712558 0.88 LMNA (0.67) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL16616153 0.86 MEN1 (0.62) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898323 0.84 RAB9A (0.76) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824933 0.84 RAB9A (0.76) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL5255345 0.83 LMNA (0.71) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29898266 0.81 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL28824958 0.81 RAB9A (0.78) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL10378109 0.80 HTT (0.54) RAB9AMAPTSMN1; SMN2NPC1AHR

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed