SCHEMBL16319293

SCHEMBL16319293

COc1ccc(F)c(-c2ccc(OC(=O)C(C)(C)C)cc2-c2nnc(C(C)(C)C)s2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
POLQ O75417 1/20 0.38
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HPGD P15428 2/20 0.37
FFAR1 O14842 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 3/20 0.35
ELANE P08246 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16319268 0.87 GUSB (0.41) NPC1MAPTRAB9APOLQALDH1A1
SCHEMBL16318872 0.78 GUSB (0.41) NPC1MAPTRAB9A
SCHEMBL16318838 0.77 PIK3CD (0.36) MAPTALDH1A1HPGDFFAR1CA2
SCHEMBL15081838 0.71 ALDH1A1 (0.40) NPC1MAPTRAB9AALDH1A1RXFP1
SCHEMBL16318752 0.71 FFAR1 (0.42) FFAR1KMT2A
SCHEMBL16318649 0.71 FFAR1 (0.69) FFAR1
SCHEMBL16319124 0.70 ELANE (0.39) POLQFFAR1ELANEKDM4E
SCHEMBL22101080 0.68 ELANE (0.56) MEN1KMT2ACA2ELANE
SCHEMBL10483703 0.66 ELANE (0.56) NPC1MAPTRAB9AALDH1A1MEN1
SCHEMBL18490124 0.65 OPRD1 (0.50) MAPTRAB9APOLQALDH1A1FFAR1

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
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed