SCHEMBL8628067

SCHEMBL8628067

COc1c(C)cc(-c2c[nH]nc2NS(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CCR4 P51679 1/20 0.41
CYTH2 Q99418 2/20 0.40
LMNA P02545 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CYP17A1 P05093 1/20 0.38
KEAP1 Q14145 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM1A O60341 1/20 0.37
PIK3CG P48736 1/20 0.37
ACLY P53396 1/20 0.37

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
SCHEMBL8758715 0.93 ALDH1A1 (0.43) SMN1; SMN2POLBMAPTLMNAAAK1
SCHEMBL8631045 0.87 STAT3 (0.42) SMN1; SMN2TSHRFFAR4CCR4LMNA
SCHEMBL8631173 0.87 POLB (0.43) SMN1; SMN2TSHRPOLBMAPTCCR4
SCHEMBL8627771 0.86 ALDH1A1 (0.47) SMN1; SMN2TSHRPOLBMAPTLMNA
SCHEMBL8630028 0.85 ALDH1A1 (0.45) SMN1; SMN2TSHRFFAR4MAPTCYTH2
SCHEMBL8632286 0.82 KIT (0.45) MAPTCCR4LMNAKEAP1MEN1
SCHEMBL8632208 0.81 STAT3 (0.51) SMN1; SMN2FFAR4POLBMAPTLMNA
SCHEMBL8632837 0.81 LMNA (0.51) FFAR4POLBMAPTLMNAKEAP1
SCHEMBL8631345 0.81 MCL1 (0.49) SMN1; SMN2TSHRFFAR4MAPTLMNA
SCHEMBL8632810 0.80 STAT3 (0.42) TSHRFFAR4MAPTCYTH2KMT2A

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