SCHEMBL23770464

SCHEMBL23770464

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GBA1 P04062 1/20 0.33
TACR1 P25103 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
KRAS P01116 2/20 0.33
GAA P10253 1/20 0.33
SCD O00767 7/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
DCTPP1 Q9H773 1/20 0.32

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
SCHEMBL23770448 0.87 CKS1B (0.40) LMNAMAPT
SCHEMBL23770787 0.86 PDE10A (0.35) LMNAALDH1A1GBA1TACR1KDM4E
SCHEMBL23770621 0.85 PDE10A (0.35) LMNAALDH1A1GBA1TACR1KDM4E
SCHEMBL23770712 0.85 NPC1 (0.33) ALDH1A1POLBKDM4E
SCHEMBL23770748 0.83 RORC (0.33) TACR1P2RX7
SCHEMBL23770416 0.83 PTPN11 (0.37)
SCHEMBL19968844 0.82 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL29464397 0.82 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL23770735 0.81
Hydrochloric Acid SCHEMBL19925388 0.81 SMN1; SMN2 (0.34) LMNASMN1; SMN2ALDH1A1POLBMAPT

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed