SCHEMBL20156059

SCHEMBL20156059

CCn1cc(OC)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
COMT P21964 1/20 0.42
RECQL P46063 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 3/20 0.37
GAA P10253 3/20 0.36
FGFR1 P11362 2/20 0.36
FGFR4 P22455 2/20 0.36
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL116289 0.78
SCHEMBL23115588 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1COMTRECQL
SCHEMBL23115758 0.76 NPC1 (0.46) SMN1; SMN2ALDH1A1RAB9AGAANPC1
SCHEMBL18380176 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HTTL3MBTL1COMTRECQL
SCHEMBL21721687 0.75 SMN1; SMN2 (0.35) SMN1; SMN2HTTRECQLTSHRRAB9A
SCHEMBL23115605 0.72 BRD4 (0.49) SMN1; SMN2HTTL3MBTL1GAAMAPT
SCHEMBL22912546 0.72 L3MBTL1 (0.51) SMN1; SMN2HTTL3MBTL1COMTRECQL
SCHEMBL26357447 0.71
SCHEMBL24937145 0.71 SMN1; SMN2 (0.37) SMN1; SMN2HTTL3MBTL1COMTRECQL
SCHEMBL1361978 0.70 L3MBTL1 (0.62) SMN1; SMN2HTTL3MBTL1COMTRECQL

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-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed