SCHEMBL23770732

SCHEMBL23770732

Cc1ccc(C(F)(F)F)cc1-c1nc(NSc2ccnc(N)c2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
AGPAT2 O15120 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 2/20 0.35
SCN9A Q15858 2/20 0.34
ABL1 P00519 1/20 0.33
DYRK1A Q13627 1/20 0.33
EPAS1 Q99814 1/20 0.33
IL2 P60568 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
PDE2A O00408 1/20 0.31
S1PR1 P21453 1/20 0.31
SYK P43405 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL23770776 0.87 ABL1 (0.38) AGPAT2ABL1CCNT1CDK9
SCHEMBL23770695 0.83 CYP1A2 (0.34) NOS3NOS2ALDH1A1DYRK1ACCNT1
SCHEMBL23770430 0.82 ABL1 (0.33) JAK2ABL1CCNT1CDK9
SCHEMBL23770707 0.81 AGPAT2 (0.39) AGPAT2LMNAALDH1A1GLAL3MBTL1
SCHEMBL23770613 0.81 CYP1A2 (0.37) LMNAALDH1A1GLAS1PR1
SCHEMBL23770773 0.79 ABL1 (0.37) NOS3NOS2AGPAT2ABL1S1PR1
SCHEMBL23770552 0.79 JAK2 (0.33) NOS3NOS2JAK2DYRK1ACCNT1
SCHEMBL19927741 0.79 SCN9A (0.49) LMNAALDH1A1GLAL3MBTL1SCN9A
SCHEMBL29464375 0.79 SCN9A (0.49) LMNAALDH1A1GLAL3MBTL1SCN9A
SCHEMBL23770544 0.76 S1PR1 (0.33) ABL1S1PR1SYK

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