SCHEMBL3703091

SCHEMBL3703091

CCOC(=O)Cc1ccc(Sc2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LPAR1 Q92633 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 3/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2335475 0.94 KDM4E (0.39) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3702315 0.93 LPAR1 (0.40) KDM4ETP53LPAR1TSHRLMNA
SCHEMBL3701871 0.93 KDM4E (0.34) KDM4ETP53SMN1; SMN2TSHRLMNA
SCHEMBL3715778 0.92 KDM4E (0.38) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3702204 0.90 TP53 (0.38) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3706580 0.89 MMP2 (0.36) KDM4ETP53TSHRKMT2AUSP2
SCHEMBL3705660 0.88 SYK (0.35) KDM4ETP53ALDH1A1LPAR1HDAC4
SCHEMBL3708579 0.87 MBOAT4 (0.33) KDM4ETP53LPAR1SMN1; SMN2LMNA
SCHEMBL2335539 0.87 LPAR1 (0.45) KDM4ETP53LPAR1TSHRLMNA
SCHEMBL3704734 0.86 KDM4E (0.35) KDM4ETP53ALDH1A1LPAR1HDAC4

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