SCHEMBL8635015

SCHEMBL8635015

O=S(=O)(Nc1n[nH]c(C(F)(F)C(F)(F)F)c1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.45
NAT1 P18440 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
CDC7 O00311 1/20 0.38
TSHR P16473 1/20 0.38
S100A9 P06702 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
SCHEMBL8632682 0.91 KDM1A (0.46) KDM1ANAT1POLBALDH1A1NPSR1
SCHEMBL8631594 0.90 KDM1A (0.46) KDM1ANAT1POLBALDH1A1NPSR1
SCHEMBL8628161 0.89 CA12 (0.41) POLBEDNRAMAPTKDM4ELMNA
SCHEMBL8629976 0.82 L3MBTL1 (0.51) ALDH1A1NPSR1EDNRBEDNRAMAPT
SCHEMBL8631355 0.80 L3MBTL1 (0.44) POLBNPSR1EDNRBEDNRAMAPT
SCHEMBL8633966 0.80 KDM1A (0.49) KDM1ANAT1POLBALDH1A1NPSR1
SCHEMBL8630569 0.80 MEN1 (0.43) POLBNPSR1MAPTKDM4ERXFP1
SCHEMBL8635392 0.79 L3MBTL1 (0.49) POLBALDH1A1NPSR1EDNRBEDNRA
SCHEMBL8629853 0.79 MEN1 (0.45) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL8635070 0.79 KDM1A (0.49) KDM1ANAT1POLBALDH1A1NPSR1

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