SCHEMBL30471836

SCHEMBL30471836

O=C(O)CCCCc1ccc2cccnc2n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 11/20 0.57
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
OXGR1 Q96P68 2/20 0.47
TBXAS1 P24557 6/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46

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
SCHEMBL24193793 1.00 SUCNR1 (0.57) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL6563211 0.95 SUCNR1 (0.61) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL12463786 0.89 KDM4E (0.54) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL5245682 0.83 SUCNR1 (0.53) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL6425206 0.82 SUCNR1 (0.52) SUCNR1OXGR1
SCHEMBL6436520 0.82 SUCNR1 (0.52) SUCNR1OXGR1
SCHEMBL24194292 0.82 SUCNR1 (0.49) SUCNR1KDM4ELMNAOXGR1TBXAS1
SCHEMBL6426734 0.82 SUCNR1 (0.57) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL20517681 0.81 SUCNR1 (0.49) SUCNR1KDM4EMEN1LMNAKMT2A
SCHEMBL17921405 0.81 SUCNR1 (0.48) SUCNR1KDM4ELMNAOXGR1TBXAS1

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
CN-116323606-A Azetidine derivatives for the treatment of integrin-associated diseases 诺丁汉大学 2023-06-23 CN disclosed