SCHEMBL8628874

SCHEMBL8628874

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2C(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 3/20 0.43
FPR1 P21462 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CDC7 O00311 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
LIMK2 P53671 1/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8631830 0.92 CDC7 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8631784 0.90 GAA (0.44) PTGS2ALDH1A1FPR1KDM4EMAPT
SCHEMBL8629838 0.89 SMN1; SMN2 (0.49) ALDH1A1FPR1KDM4EMAPTMEN1
SCHEMBL8635571 0.86 PTGDR2 (0.48) PTGS2ALDH1A1FPR1KDM4EMAPT
SCHEMBL8631597 0.86 SMN1; SMN2 (0.42) ALDH1A1FPR1KDM4EMAPTMEN1
SCHEMBL8633819 0.86 KDM4E (0.41) ALDH1A1FPR1KDM4EMAPTMEN1
SCHEMBL8629928 0.83 PTGS2 (0.43) PTGS2ALDH1A1FPR1KDM4EMAPT
SCHEMBL8631604 0.83 SMN1; SMN2 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8635131 0.83 PI4KB (0.43) PTGS2ALDH1A1SMN1; SMN2
SCHEMBL8627773 0.82 PRMT1 (0.42) PTGS2ALDH1A1MAPTMEN1KMT2A

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