SCHEMBL160990

SCHEMBL160990

NCc1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.53
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49
USP2 O75604 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NAMPT P43490 1/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
DDIT3 P35638 1/20 0.46

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
SCHEMBL27839480 0.88 USP2 (0.61) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL6302757 0.84 USP2 (0.68) MAPTALDH1A1PKMUSP2SMN1; SMN2
SCHEMBL8726088 0.83 MAPT (0.63) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL10037161 0.83 MAPT (0.63) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL12075773 0.83 MAPT (0.63) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL5018821 0.83 USP2 (0.71) ALDH1A1USP2SMN1; SMN2
SCHEMBL11510345 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL29764424 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL8726108 0.81 MAPT (0.59) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL7077124 0.81 MAPT (0.59) MAPTALDH1A1PKMF13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed