SCHEMBL30637331

SCHEMBL30637331

Cc1ccnc(N2CCCC(C(F)(F)F)C2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
ACACB O00763 1/20 0.48
GPBAR1 Q8TDU6 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAP4K4 O95819 1/20 0.46
HPGD P15428 1/20 0.44
EIF2AK4 Q9P2K8 1/20 0.43
PDE8B O95263 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL13403295 0.80 KDM4E (0.54) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL17151435 0.80 DYRK1A (0.50) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL29371074 0.76 KDM4E (0.54) KDM4EHSD17B10ALDH1A1TSHRMEN1
SCHEMBL26047168 0.76 PDE8B (0.55) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL26051213 0.76 PDE8B (0.55) KDM4EHSD17B10ALDH1A1TSHRGPBAR1
SCHEMBL13806030 0.76 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL7904079 0.76 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL18228454 0.76 SORD (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL12597157 0.74 KDM4E (0.55) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL26051218 0.74 KDM4E (0.51) KDM4EHSD17B10ALDH1A1TSHRGPBAR1

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
WO-2023198209-A1 KIF18A INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-10-19 WO disclosed