SCHEMBL20008122

SCHEMBL20008122

Cc1ccc(C)c(-c2cc(N)nc(N3CCCCC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HRH4 Q9H3N8 5/20 0.45
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 4/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL20008452 0.82 GALR2 (0.44) SMN1; SMN2CRHBPCRHR2L3MBTL1KDM4E
SCHEMBL20008237 0.78 HRH4 (0.47) HRH4RAF1BRAF
SCHEMBL20008538 0.78 DRD2 (0.49) SMN1; SMN2RAF1L3MBTL1KDM4EGAA
SCHEMBL20009412 0.77 RAF1 (0.40) RAF1BRAFL3MBTL1KDM4EGAA
SCHEMBL19529392 0.77 RAF1 (0.40) SMN1; SMN2RAF1BRAFL3MBTL1KDM4E
SCHEMBL20008460 0.75 RAF1 (0.41) SMN1; SMN2RAF1BRAFL3MBTL1KDM4E
SCHEMBL28957811 0.74 HRH4 (0.58) SMN1; SMN2CRHBPCRHR2HRH4KDM4E
SCHEMBL20009430 0.73 RAF1 (0.49) RAF1BRAFL3MBTL1KDM4EGAA
SCHEMBL20010376 0.72 AR (0.53) SMN1; SMN2CRHBPCRHR2RAF1BRAF
SCHEMBL1442527 0.72 CNR2 (0.43) SMN1; SMN2HRH4L3MBTL1KDM4EGAA

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed