SCHEMBL8630028

SCHEMBL8630028

Cc1ccc(-c2c[nH]nc2NS(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MCL1 Q07820 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43
TSHR P16473 3/20 0.42
CYTH2 Q99418 2/20 0.42
MAPT P10636 2/20 0.40
KIT P10721 3/20 0.40
NTRK1 P04629 2/20 0.40
PIK3CA P42336 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
MAPK1 P28482 1/20 0.40
NAT1 P18440 1/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC40A1 Q9NP59 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8632810 0.89 STAT3 (0.42) ALDH1A1MCOLN3L3MBTL1MCL1FFAR4
SCHEMBL8758268 0.89 PKM (0.42) ALDH1A1MCOLN3L3MBTL1MCL1MAPT
SCHEMBL8627771 0.88 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRMAPTKIT
SCHEMBL8632837 0.86 LMNA (0.51) ALDH1A1MCOLN3L3MBTL1MCL1FFAR4
SCHEMBL8628067 0.85 SMN1; SMN2 (0.43) ALDH1A1FFAR4TSHRCYTH2MAPT
SCHEMBL8631345 0.85 MCL1 (0.49) ALDH1A1MCOLN3MCL1FFAR4TSHR
SCHEMBL8632286 0.84 KIT (0.45) ALDH1A1MCOLN3MAPTKITPIK3CA
SCHEMBL8758715 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKITNTRK1
SCHEMBL8631080 0.82 KMO (0.52) PIK3CAHTT
SCHEMBL8627628 0.82 FFAR4 (0.44) ALDH1A1MCOLN3L3MBTL1FFAR4TSHR

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed