SCHEMBL15875652

SCHEMBL15875652

CC(C)(C)c1ncc(C#CCCC(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 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
SCHEMBL15874771 0.83 MEN1 (0.37) L3MBTL1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL15874896 0.83 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL15875499 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL25170022 0.70 FFAR1 (0.50) L3MBTL1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL15883224 0.69 MEN1 (0.38) L3MBTL1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL25173221 0.68 FFAR1 (0.48) L3MBTL1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL3874916 0.68 FFAR1 (0.45) L3MBTL1ALDH1A1MAPK1TSHR
SCHEMBL25170005 0.68 FFAR1 (0.56) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL25172823 0.67 HCAR2 (0.48) L3MBTL1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL3498873 0.67 ALDH1A1 (0.59) L3MBTL1ALDH1A1MAPK1LMNAKMT2A

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-2943494-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN Eli Lilly and Company (US) 2015-11-18 EP disclosed
WO-2014110000-A1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN ELI LILLY AND COMPANY (US) 2014-07-17 WO disclosed