SCHEMBL21343683

SCHEMBL21343683

Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)NC(=O)c4ccccn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
GRM4 Q14833 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL22942059 0.89 RAB9A (0.35) GAAGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL21361250 0.89 MAOB (0.38) GRM4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21361231 0.88 TNKS2 (0.36) GRM4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21344830 0.85 FAAH (0.41) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL21361295 0.84 GPR6 (0.37) GRM4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL22992067 0.83 GRM4 (0.38) GRM4NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL22859737 0.83 KCNH2 (0.38) GRM4MAPTPOLB
SCHEMBL22908556 0.82 GRM4 (0.37) GRM4ALDH1A1
SCHEMBL24120293 0.80 RAB9A (0.38) GAAGRM4NPC1RAB9ASMN1; SMN2
SCHEMBL24120381 0.79 MAOB (0.39) GAAGRM4NPC1RAB9ASMN1; SMN2

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-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed