SCHEMBL6709503

SCHEMBL6709503

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2nc3c(Cl)cccc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
LSS P48449 2/20 0.45
PARP1 P09874 3/20 0.43
DHODH Q02127 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
F10 P00742 3/20 0.42
KLK1 P06870 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HTR2B P41595 1/20 0.41
MET P08581 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A7 Q99884 1/20 0.40

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
SCHEMBL6709509 0.84 ATM (0.47) ATMLSSL3MBTL1F10KLK1
SCHEMBL6737720 0.82 F10 (0.42) ATMPARP1DHODHF10KLK1
SCHEMBL6421218 0.82 F10 (0.51) ATMLSSL3MBTL1F10KLK1
SCHEMBL6421211 0.82 F10 (0.51) ATMLSSL3MBTL1F10KLK1
SCHEMBL6738660 0.79 F10 (0.49) ATMLSSL3MBTL1F10KLK1
SCHEMBL6729281 0.77 ATM (0.57) ATML3MBTL1F10KLK1LMNA
SCHEMBL6421733 0.74 F10 (0.71) ATMLSSL3MBTL1F10KLK1
SCHEMBL5196283 0.74 F10 (0.71) LSSF10KLK1
SCHEMBL6547151 0.72 ATM (0.52) ATMLSSL3MBTL1F10KLK1
SCHEMBL6734496 0.72 ALDH1A1 (0.44) ATMLSSL3MBTL1F10KLK1

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
US-6753331-B1 INDOL-2-YLSULPHONYL-4-(4-(HETEROCYCLE)BENZOYL)PIPERAZINE DERIVATIVES AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-06-22 US disclosed