SCHEMBL22874397

SCHEMBL22874397

CC(C)(C)OC(=O)Nc1cccc(F)c1NC(=O)c1cnc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
P4HTM Q9NXG6 3/20 0.43
SYK P43405 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
METAP1 P53582 1/20 0.40
LCK P06239 3/20 0.39
TRPA1 O75762 1/20 0.37
ATR Q13535 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
MET P08581 1/20 0.37
IL2 P60568 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL22874400 0.90 SMN1; SMN2 (0.46) SMN1; SMN2NPC1SYKRXFP1METAP1
SCHEMBL5227380 0.75 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RXFP1METAP1TRPA1
SCHEMBL24195797 0.74 ASPH (0.46) P4HTMSYKRXFP1METAP1TRPA1
SCHEMBL30380330 0.74 LMNA (0.43) SMN1; SMN2NPC1SYKRXFP1METAP1
SCHEMBL4922310 0.74 LMNA (0.43) SMN1; SMN2NPC1SYKRXFP1METAP1
SCHEMBL1610508 0.73 NLRP3 (0.53) NPC1SYKRXFP1LCKATR
SCHEMBL29768539 0.73 P4HTM (0.53) SMN1; SMN2NPC1P4HTMMETAP1ALDH1A1
SCHEMBL3716281 0.73 P4HTM (0.53) SMN1; SMN2NPC1P4HTMMETAP1ALDH1A1
SCHEMBL24427984 0.73 CXCR2 (0.48) NPC1RXFP1METAP1LCKATR
SCHEMBL22874499 0.72 P4HTM (0.65) NPC1P4HTMALDH1A1

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-2021007313-A1 WNT ACTIVATORS AND METHODS OF USE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-01-14 WO disclosed