SCHEMBL30851897

SCHEMBL30851897

CCOc1ncc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
HPGDS O60760 1/20 0.41
GPR119 Q8TDV5 7/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL27313079 1.00 MAPT (0.45) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL30851603 0.86 KDM4E (0.48) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL30852105 0.84 KDM4E (0.46) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL27313057 0.84 KDM4E (0.46) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL30851610 0.83 KDM4E (0.45) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL27313047 0.83 KDM4E (0.45) MAPTKDM4ETHRBDDB1CRBN
SCHEMBL30852127 0.82 KDM4E (0.48) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL30851884 0.79 KDM4E (0.49) MAPTKDM4ETHRBHPGDALDH1A1
SCHEMBL27313118 0.79 KDM4E (0.45) MAPTKDM4ETHRBHPGDMEN1
SCHEMBL30851691 0.79 KDM4E (0.48) MAPTKDM4ETHRBHPGDMEN1

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