SCHEMBL8724931

SCHEMBL8724931

[CH2]c1ccc(S(=O)(=O)N2CCNCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
ALDH1A1 P00352 2/20 0.59
PKM P14618 2/20 0.57
F13A1 P00488 1/20 0.56
TGM2 P21980 1/20 0.56
TGM1 P22735 1/20 0.56
USP2 O75604 2/20 0.52
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
GLA P06280 1/20 0.46
TDO2 P48775 1/20 0.46
NPC1 O15118 1/20 0.44
PKLR P30613 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8726088 0.84 MAPT (0.63) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL6748039 0.82 USP2 (0.76) MAPTALDH1A1PKMUSP2NPC1
SCHEMBL6181332 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL16442322 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL29764424 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL1797016 0.81 MAPT (0.69) MAPTALDH1A1PKMTDO2PKLR
SCHEMBL11510345 0.81 MAPT (0.69) MAPTALDH1A1PKMF13A1TGM2
SCHEMBL651924 0.81 MAPT (0.69) MAPTALDH1A1PKMPOLB
SCHEMBL5955341 0.81 MAPT (0.69) MAPTALDH1A1PKMPOLB
SCHEMBL9977868 0.81 MAPT (0.69) 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
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed