SCHEMBL20156079

SCHEMBL20156079

CC(C)(C)OCC(=N)/C(=C\NCCc1ccc2cccnc2n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 18/20 0.38
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
OXGR1 Q96P68 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BDKRB1 P46663 1/20 0.33

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
SCHEMBL20156367 0.94 SUCNR1 (0.41) SUCNR1OXGR1BDKRB1
SCHEMBL23912916 0.90 MAPT (0.40) SUCNR1KDM4EMEN1KMT2AOXGR1
SCHEMBL20156361 0.85 NQO2 (0.30) ALDH1A1
SCHEMBL20156362 0.84 CYP1A2 (0.39) SUCNR1MEN1KMT2AOXGR1BDKRB1
SCHEMBL20156279 0.79 SUCNR1 (0.37) SUCNR1OXGR1
SCHEMBL20156365 0.77 MAPT (0.39) KDM4EMEN1LMNAKMT2AALDH1A1
SCHEMBL20156243 0.76 MAPT (0.41) SUCNR1KDM4EMEN1KMT2A
SCHEMBL23912908 0.75 NPC1 (0.34) SUCNR1KDM4EMEN1KMT2AOXGR1
SCHEMBL20156364 0.75 SUCNR1 (0.39) SUCNR1OXGR1BDKRB1
SCHEMBL20156254 0.73 SUCNR1 (0.39) SUCNR1KDM4EMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
US-9248131-B2 Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-02-02 US disclosed