SCHEMBL31558554

SCHEMBL31558554

C[C@@H](N[S@+]([O-])C(C)(C)C)c1coc(-c2ccccc2F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
NPC1 O15118 8/20 0.34
RAB9A P51151 7/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 2/20 0.32
MAPK1 P28482 1/20 0.32
GBA1 P04062 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
SCHEMBL31558502 1.00 NOTUM (0.34) NOTUMNPC1RAB9AMAPTRXFP1
SCHEMBL30765823 0.83 HDAC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL30765498 0.72 NOTUM (0.41) NOTUMNPC1RAB9AMAPTRXFP1
SCHEMBL17031936 0.72 MAPKAPK2 (0.40) GAAALDH1A1
SCHEMBL18673898 0.72 MAPKAPK2 (0.40) GAAALDH1A1
SCHEMBL14863768 0.72 MAPKAPK2 (0.40) GAAALDH1A1
SCHEMBL8032601 0.72 MAPKAPK2 (0.40) GAAALDH1A1
SCHEMBL25285205 0.70 KCNB1 (0.33)
SCHEMBL25242681 0.70 KCNB1 (0.33)
SCHEMBL25285206 0.70 KCNB1 (0.33)

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
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed