SCHEMBL8237709

SCHEMBL8237709

CC(C)N(CC(=O)Nc1nc(-c2ccc(F)cc2)cn1-c1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
PSMB5 P28074 1/20 0.38
CXCR3 P49682 4/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
KLK7 P49862 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL8234155 0.96 SMN1; SMN2 (0.47) MAPTSMN1; SMN2CXCR3TP53
SCHEMBL8236412 0.90 SLC6A9 (0.39) MAPTSMN1; SMN2PSMB5CXCR3KMT2A
SCHEMBL8236040 0.89 MAPT (0.47) MAPTCXCR3TP53
SCHEMBL8236364 0.89 SMN1; SMN2 (0.45) MAPTSMN1; SMN2CXCR3KMT2AMEN1
SCHEMBL8234240 0.86 KMT2A (0.43) MAPTSMN1; SMN2PSMB5CXCR3KMT2A
SCHEMBL8228005 0.82 TSHR (0.44) MAPTSMN1; SMN2CXCR3KMT2AMEN1
SCHEMBL8234249 0.81 PSMB5 (0.47) PSMB5CXCR3
SCHEMBL8236031 0.81 SMN1; SMN2 (0.43) MAPTSMN1; SMN2CXCR3TP53THRB
SCHEMBL8236758 0.80 SMN1; SMN2 (0.45) MAPTSMN1; SMN2CXCR3TP53THRB
SCHEMBL8233464 0.80 CXCR3 (0.41) MAPTSMN1; SMN2PSMB5CXCR3KMT2A

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
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed