SCHEMBL5240771

SCHEMBL5240771

COc1ccc(CC(=O)c2cccc(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 3/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
GBA1 P04062 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
P2RX7 Q99572 1/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL38661570 1.00 USP2 (0.51) USP2TP53HTTLMNASMN1; SMN2
SCHEMBL5240146 0.84 RAB9A (0.57) TP53SMN1; SMN2NPC1RAB9AGBA1
SCHEMBL2801582 0.83 P2RX7 (0.53) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5235569 0.82 P2RX7 (0.49) TP53HTTLMNASMN1; SMN2NPC1
SCHEMBL5956440 0.82 WNT3A (0.43) HTTLMNANPC1RAB9AMAPT
SCHEMBL5235128 0.79 ALOX5 (0.49) MAPTP2RX7MEN1KMT2AL3MBTL1
SCHEMBL5234383 0.78 P2RX7 (0.45) SMN1; SMN2NPC1RAB9AP2RX7MEN1
SCHEMBL38661938 0.78 SMN1; SMN2 (0.63) USP2TP53HTTLMNASMN1; SMN2
SCHEMBL5232062 0.78 SMN1; SMN2 (0.63) USP2TP53HTTLMNASMN1; SMN2
SCHEMBL11876573 0.77 MAPT (0.50) HTTLMNASMN1; SMN2NPC1RAB9A

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed