SCHEMBL23218722

SCHEMBL23218722

COc1ccc(CC(=O)O)c(OCc2nn(C)c3ccc(-c4ccnc(CN[S+]([O-])C(C)(C)C)c4F)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.34
PDGFRB P09619 4/20 0.34
NAMPT P43490 2/20 0.34
AKR1C3 P42330 3/20 0.33
SCN9A Q15858 1/20 0.32
KDR P35968 2/20 0.32
MET P08581 1/20 0.32
PDGFRA P16234 1/20 0.32
PDE10A Q9Y233 1/20 0.31
AKR1C2 P52895 1/20 0.30
MAPT P10636 2/20 0.30
CFD P00746 1/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29853059 0.93 CSF1R (0.34) CSF1RPDGFRBNAMPTSCN9AKDR
SCHEMBL29593254 0.86 AKR1C3 (0.37) CSF1RPDGFRBNAMPTAKR1C3SCN9A
SCHEMBL23218815 0.86 AKR1C3 (0.37) CSF1RPDGFRBNAMPTAKR1C3SCN9A
SCHEMBL28736114 0.80 AKR1C3 (0.33) CSF1RPDGFRBAKR1C3SCN9AAKR1C2
SCHEMBL23218951 0.79 CFD (0.43) AKR1C3SCN9AAKR1C2MAPTCFD
SCHEMBL29591865 0.79 CFD (0.43) AKR1C3SCN9AAKR1C2MAPTCFD
SCHEMBL23218950 0.78 DPP4 (0.39) CSF1RPDGFRBNAMPTSCN9AKDR
SCHEMBL29852921 0.78 DPP4 (0.39) CSF1RPDGFRBNAMPTSCN9AKDR
SCHEMBL23219218 0.78 POLB (0.36) MAPTLMNAMEN1USP2ALDH1A1
SCHEMBL21545236 0.77 CFD (0.42) PDE10AMAPTCFDALDH1A1KMT2A

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed