SCHEMBL8628728

SCHEMBL8628728

CSc1ccc(-c2c(NS(=O)(=O)c3ccccc3)n[nH]c2C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.39
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMO O15229 1/20 0.36
MAPT P10636 1/20 0.36
CHUK O15111 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GYS1 P13807 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL8631571 0.88 KMO (0.47) MEN1KMT2ATDP1KMOCHUK
SCHEMBL8627990 0.83 HPGD (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8632682 0.82 KDM1A (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8630483 0.82 KMT2A (0.42) PTGS2SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8634847 0.81 NAT1 (0.46) MEN1KMT2AMAPTLMNALRRK2
SCHEMBL8634594 0.81 FFAR4 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8629976 0.81 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8629853 0.80 MEN1 (0.45) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL8627699 0.80 MAPK14 (0.40) PTGS2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8630886 0.79 MCL1 (0.45) ALDH1A1MEN1KMT2ATDP1HTT

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