SCHEMBL366822

SCHEMBL366822

Cc1cnc(NCC2(c3ccc(S(=O)(=O)Nc4nnc(C(C)C)s4)cc3)CCCC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.35
RECQL P46063 1/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
KLKB1 P03952 1/20 0.33
CTSB P07858 1/20 0.33
ELANE P08246 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
SCHEMBL299666 0.89 MEN1 (0.47) ALDH1A1HSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL294292 0.88 MEN1 (0.46) ALDH1A1HSD17B10KMT2ATP53MAPT
SCHEMBL294568 0.87 MEN1 (0.47) ALDH1A1HSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL295275 0.77 MEN1 (0.50) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL13068607 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10KMT2ACA1CA2
SCHEMBL3372765 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL3373803 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10KMT2ACA1CA2
SCHEMBL3373738 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10KMT2ACA1RECQL
SCHEMBL5398574 0.70 ALDH1A1 (0.73) ALDH1A1HSD17B10KMT2ACA1RECQL
SCHEMBL5404610 0.69 ALDH1A1 (0.71) ALDH1A1HSD17B10KMT2AMAPTSMN1; SMN2

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-2240474-B1 CYCLIC PYRIDYL-N-(1,3,4)-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-03-14 EP disclosed