SCHEMBL8627985

SCHEMBL8627985

Cc1ccc(-c2c[nH]nc2NS(=O)(=O)c2ccccc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.50
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
METAP2 P50579 2/20 0.43
CYTH2 Q99418 2/20 0.42
MMP14 P50281 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
LMNA P02545 2/20 0.40
PTPRC P08575 1/20 0.40
USP2 O75604 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
SCHEMBL8631496 0.88 MAPK14 (0.43) FFAR4CYTH2TSHRKDM4E
SCHEMBL8759199 0.88 CYP17A1 (0.45) FFAR4MAPTHTTLMNAALDH1A1
SCHEMBL8627628 0.87 FFAR4 (0.44) FFAR4MAPTCYTH2TSHRCA12
SCHEMBL8759075 0.84 MCL1 (0.41) FFAR4HTTTSHRALDH1A1
SCHEMBL8632837 0.83 LMNA (0.51) FFAR4MAPTMEN1KMT2ACA12
SCHEMBL8631345 0.82 MCL1 (0.49) FFAR4MAPTHTTMEN1KMT2A
SCHEMBL8630028 0.80 ALDH1A1 (0.45) FFAR4MAPTHTTMAPK1CYTH2
SCHEMBL8632286 0.78 KIT (0.45) MAPTMEN1KMT2ACA12CA1
SCHEMBL8628067 0.78 SMN1; SMN2 (0.43) FFAR4MAPTMEN1KMT2ACYTH2
SCHEMBL8628072 0.78 ERBB2 (0.45) MEN1KMT2AAVPR2GPR27ALDH1A1

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