SCHEMBL22235232

SCHEMBL22235232

O=C1NCC2(CCN(S(=O)(=O)c3ccc(-c4ccn5ccnc5c4)cc3)CC2)OC1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.40
FASN P49327 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2B P41595 1/20 0.34
QPCT Q16769 1/20 0.33

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
SCHEMBL4559937 0.76 FASN (0.68) NAMPTFASNSMN1; SMN2PIK3C3MEN1
SCHEMBL4561010 0.74 FASN (0.49) NAMPTFASNSMN1; SMN2MEN1ALDH1A1
SCHEMBL4542038 0.70 FASN (0.51) NAMPTFASNPIK3C3
SCHEMBL15238750 0.67 FASN (0.63) NAMPTFASNSMN1; SMN2MEN1ALDH1A1
SCHEMBL3190627 0.65 FLT3 (0.48) NAMPTPIK3C3
SCHEMBL14826051 0.64 PIK3C3 (0.51) PIK3C3CCNCCDK8CDK19MEN1
SCHEMBL4562178 0.64 FASN (0.64) NAMPTFASN
SCHEMBL21364619 0.61 PIK3C3 (0.46) SMN1; SMN2PIK3C3ALDH1A1QPCT
SCHEMBL3321465 0.61 FLT3 (0.48) PIK3C3QPCT
SCHEMBL23068965 0.59 CHRNA7 (0.47) SMN1; SMN2PIK3C3

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-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed