SCHEMBL3701871

SCHEMBL3701871

CCOC(=O)Cc1cccc(Sc2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3F)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
F10 P00742 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3706560 0.94 KDM4E (0.36) KDM4EL3MBTL1TP53POLBUSP2
SCHEMBL3703091 0.93 KDM4E (0.36) KDM4EL3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3706580 0.87 MMP2 (0.36) KDM4EL3MBTL1TP53POLBUSP2
SCHEMBL2335475 0.86 KDM4E (0.39) KDM4EL3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3702315 0.86 LPAR1 (0.40) KDM4ETP53POLBUSP2MAPT
SCHEMBL3715778 0.85 KDM4E (0.38) KDM4EL3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3708489 0.84 TP53 (0.35) KDM4EL3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3702204 0.83 TP53 (0.38) KDM4EL3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3705145 0.83 TLR7 (0.35) KDM4ESMN1; SMN2NPC1PKMNFKB1
SCHEMBL3708579 0.83 MBOAT4 (0.33) KDM4ESMN1; SMN2TP53MAPTLMNA

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed