SCHEMBL4779632

SCHEMBL4779632

COc1ccc(CC(=O)c2ccc(OC)cc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
ATM Q13315 1/20 0.62
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 3/20 0.57
LMNA P02545 3/20 0.57
HSP90AA1 P07900 2/20 0.56
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NOD2 Q9HC29 1/20 0.48
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
PTGS1 P23219 1/20 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
SCHEMBL1849729 0.91 RAB9A (0.62) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1848693 0.88 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1847760 0.84 USP2 (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL224315 0.83 NPC1 (0.83) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL224762 0.83 NPC1 (0.88) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL11365372 0.83 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1346046 0.83 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4477551 0.82 JAK2 (0.51) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1347033 0.81 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL1438230 0.81 GSK3B (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889617-A1 Triphenyl modified 5-membered heterocycles and their use as anticancer and antiflammatory agents Freie Universität Berlin (DE) 2008-02-20 EP disclosed
WO-2008006626-A1 TRIPHENYL MODIFIED 5-MEMBERED HETEROCYCLES AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS FREIE UNIVERSITÄT BERLIN (DE) 2008-01-17 WO disclosed