SCHEMBL9026748

SCHEMBL9026748

CC(C)Cc1c(OCc2ccccc2)nc(CI)c(S(C)(=O)=O)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GHSR Q92847 1/20 0.33
ADAMTS4 O75173 2/20 0.32
DAPK1 P53355 1/20 0.32
NPC1 O15118 1/20 0.32
AR P10275 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGMT P16455 2/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL9026548 0.90 HPGD (0.37) CA12CA1CA2CA9HPGD
SCHEMBL9027108 0.83 ALDH1A1 (0.37) CA12CA1CA2CA9HPGD
SCHEMBL9026981 0.83 ALDH1A1 (0.37) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL27257382 0.83 ALDH1A1 (0.37) CA12CA1CA2CA9HPGD
SCHEMBL9026486 0.82 ALDH1A1 (0.36) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9025945 0.82 LMNA (0.36) CA12CA1CA2CA9HPGD
SCHEMBL9026771 0.81 ALDH1A1 (0.36) HPGDALDH1A1LMNATSHRMAPK1
SCHEMBL9026994 0.78 CA12 (0.34) CA12CA1CA2CA9HPGD
SCHEMBL9026031 0.78 PIN1 (0.35) CA12CA1CA2CA9HPGD
SCHEMBL27257482 0.78 CA12 (0.34) CA12CA1CA2CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed