SCHEMBL30851884

SCHEMBL30851884

Cc1ccc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
IGF1R P08069 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL30852111 0.84 KDM4E (0.48) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL27312564 0.84 KDM4E (0.48) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL30851603 0.84 KDM4E (0.48) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL30851691 0.82 KDM4E (0.48) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL30852105 0.82 KDM4E (0.46) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL27313057 0.82 KDM4E (0.46) KDM4EMAPTTHRBIGF1RGPR119
SCHEMBL30852127 0.80 KDM4E (0.48) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL23748832 0.80 KDM4E (0.52) KDM4EMAPTTHRBGPR119NAMPT
SCHEMBL30851610 0.79 KDM4E (0.45) KDM4EMAPTTHRBGPR119JAK2
SCHEMBL30851897 0.79 MAPT (0.45) KDM4EMAPTTHRBGPR119ALDH1A1

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-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed