SCHEMBL9854068

SCHEMBL9854068

CC(C)Oc1cccc(C(=O)Nc2ccn3c2CS[C@@H]3c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.56
TBXAS1 P24557 2/20 0.48
BRAF P15056 1/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TEK Q02763 2/20 0.46
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
BRPF1 P55201 1/20 0.42

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
SCHEMBL9853954 1.00 PTAFR (0.56) PTAFRTBXAS1BRAFALDH1A1NPC1
SCHEMBL9853911 0.91 PTAFR (0.56) PTAFRTBXAS1ALDH1A1
SCHEMBL9853960 0.91 PTAFR (0.56) PTAFRTBXAS1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9854111 0.89 PTAFR (0.55) PTAFRTBXAS1
SCHEMBL9853908 0.89 PTAFR (0.53) PTAFRTBXAS1ALDH1A1NPC1RAB9A
SCHEMBL9854002 0.89 PTAFR (0.59) PTAFRTBXAS1NPC1RAB9AMEN1
SCHEMBL9853951 0.89 PTAFR (0.59) PTAFRTBXAS1NPC1RAB9AMEN1
SCHEMBL9854056 0.89 PTAFR (0.50) PTAFRTBXAS1BRAFKMT2ATEK
SCHEMBL9853956 0.88 PTAFR (0.53) PTAFRTBXAS1
SCHEMBL9853973 0.88 PTAFR (0.49) PTAFRTBXAS1BRAFALDH1A1KMT2A

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-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed