SCHEMBL6566875

SCHEMBL6566875

CC(C)(C)NC(=O)Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.50
SRC P12931 2/20 0.50
PDGFRA P16234 2/20 0.50
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6568509 0.86 POLB (0.52) FGFR1SRCPDGFRAEGFRPDGFRB
SCHEMBL4422197 0.79 NAPRT (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL17169483 0.79 NPC1 (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL9285165 0.78 NPC1 (0.67) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL17849580 0.74 MEN1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4351163 0.72 HTT (0.58) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4350367 0.72 HTT (0.62) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4354002 0.72 MEN1 (0.59) FGFR1SRCPDGFRAPDGFRBNPC1
SCHEMBL13756247 0.72 RAB9A (0.81) PDGFRANPC1RAB9AMEN1KMT2A
SCHEMBL7932199 0.72 MEN1 (0.53) MEN1KMT2AMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed