SCHEMBL29320165

SCHEMBL29320165

CCc1cc(C2CN(CC(F)F)CCN2)ccc1C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MLNR O43193 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR5 P51681 1/20 0.31
CPS1 P31327 2/20 0.31
REV1 Q9UBZ9 1/20 0.31

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
SCHEMBL29323240 0.89 CA12 (0.39) XIAPBIRC2TMEM97SIGMAR1ALDH1A1
SCHEMBL30109209 0.83 XIAP (0.41) XIAPBIRC2ALDH1A1KDM4EMEN1
SCHEMBL31269556 0.83 XIAP (0.41) XIAPBIRC2ALDH1A1KDM4EMEN1
SCHEMBL30109126 0.83 XIAP (0.41) XIAPBIRC2ALDH1A1KDM4EMEN1
SCHEMBL29324631 0.81 ALDH1A1 (0.36) XIAPBIRC2TMEM97SIGMAR1ALDH1A1
SCHEMBL29320350 0.81 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31056638 0.79 CD274 (0.34) XIAPBIRC2ALDH1A1KDM4EMEN1
SCHEMBL29320160 0.79 PDE4B (0.39) ALDH1A1
SCHEMBL31056475 0.79 TMEM97 (0.42) TMEM97SIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL31056754 0.76 HTR4 (0.34) XIAPBIRC2TMEM97SIGMAR1ALDH1A1

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed