SCHEMBL29464397

SCHEMBL29464397

Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCN(C(=O)CN)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SCN9A Q15858 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
TACR1 P25103 2/20 0.33
GFER P55789 1/20 0.33
KRAS P01116 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GBA1 P04062 1/20 0.32
PHGDH O43175 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL19968844 1.00 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL29464919 0.99 SMN1; SMN2 (0.34) SMN1; SMN2MAPTALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL19925388 0.99 SMN1; SMN2 (0.34) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL19968838 0.91 SCN9A (0.36) SMN1; SMN2LMNAKDM4ESCN9ATACR1
SCHEMBL29464434 0.91 SCN9A (0.36) SMN1; SMN2LMNAKDM4ESCN9ATACR1
SCHEMBL19925160 0.90 SCN9A (0.36) SMN1; SMN2LMNAKDM4ESCN9ATACR1
SCHEMBL19968866 0.87 SCN9A (0.39) ALDH1A1KDM4ESCN9ATACR1TP53
SCHEMBL19968837 0.87 SFRP1 (0.36) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL29464370 0.87 CYP1A2 (0.42) ALDH1A1KDM4ESCN9ATACR1
SCHEMBL19968842 0.87 CYP1A2 (0.42) ALDH1A1KDM4ESCN9ATACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN claimed
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed