SCHEMBL31063291

SCHEMBL31063291

CCOC(=O)CN(C(=O)OC(C)(C)C)c1nc(Cl)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CHEK1 O14757 1/20 0.33
GSTO1 P78417 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SYK P43405 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CFTR P13569 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL31063282 0.82 MAPT (0.38) P2RX3LMNAKMT2AALDH1A1MAPK1
SCHEMBL29241474 0.78 S100B (0.42) P2RX3LMNAKMT2ANFKB1NFKB2
SCHEMBL25213314 0.75 CYP3A4 (0.43) P2RX3KMT2ANFKB1NFKB2RELA
SCHEMBL5906809 0.74 P2RX3 (0.43) P2RX3LMNAKMT2ANFKB1NFKB2
SCHEMBL2325513 0.72 HPGD (0.36) P2RX3LMNAKMT2AKDM4EALDH1A1
SCHEMBL6213093 0.72 F2 (0.44) P2RX3LMNANFKB1NFKB2RELA
SCHEMBL30060460 0.71 ALDH1A1 (0.37) P2RX3LMNAKMT2ANFKB1NFKB2
SCHEMBL6612961 0.71 ABCB1 (0.36) LMNAKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23611364 0.71 ALDH1A1 (0.37) P2RX3LMNAKMT2ANFKB1NFKB2
SCHEMBL13248101 0.71 NFKB1 (0.37) P2RX3KMT2ANFKB1NFKB2RELA

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-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed