SCHEMBL27989014

SCHEMBL27989014

Cc1ccc(Nc2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
GLA P06280 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
SNCA P37840 1/20 0.44
LMNA P02545 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL398044 0.90 CNR2 (0.57) CNR2GLAGAAMAPTLMNA
SCHEMBL9310747 0.84 CNR2 (0.52) CNR2GLAMAPTCA12CA9
SCHEMBL21753821 0.77 GLA (0.54) CNR2GLAMAPTMCOLN3
SCHEMBL4075322 0.77 MAPT (0.64) CNR2MEN1KMT2AGAAMAPT
SCHEMBL18591589 0.76 GLA (0.59) CNR2GLAGAAMAPTLMNA
Ditolamide SCHEMBL2110790 0.74 CA9 (0.64) CNR2GLAMEN1KMT2ALMNA
SCHEMBL3626535 0.74 CA12 (0.50) CNR2GLAMEN1KMT2AGAA
SCHEMBL6900864 0.73 HTT (0.51) CNR2GLAMAPTLMNAALDH1A1
SCHEMBL898459 0.73 GLA (0.56) CNR2GLAGAAMAPTLMNA
SCHEMBL218536 0.73 SMN1; SMN2 (0.68) CNR2GLAGAAMAPTCA12

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
CN-104302358-A 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use CANCER RES INST ROYAL 2015-01-21 CN disclosed