SCHEMBL5800552

SCHEMBL5800552

COC(=O)c1cc(NC(=O)c2cccc(CC(C)C#N)c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CASR P41180 1/20 0.47
ALDH1A1 P00352 4/20 0.46
ALOX12 P18054 2/20 0.46
CSF1R P07333 1/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL4970779 0.81 NR1H4 (0.49) MEN1KMT2ASMN1; SMN2CASRRAB9A
SCHEMBL5799643 0.80 BRAF (0.49) CSF1RCYP2C9
SCHEMBL2859259 0.79 SLC7A5 (0.60) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL4966996 0.77 ROCK2 (0.44) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL4749868 0.77 BRAF (0.67) CSF1RCYP2C9
SCHEMBL3929589 0.76 BRAF (0.63) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4750556 0.76 BRAF (0.67) CSF1RCYP2C9
SCHEMBL4750077 0.74 BRAF (0.57) CYP2C9
SCHEMBL5212609 0.74 MAPT (0.52) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL5803018 0.73 BRAF (0.54) CSF1RCYP2C9

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-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed