SCHEMBL8632624

SCHEMBL8632624

CCCCOc1ccc(-c2c[nH]nc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
KAT6A Q92794 1/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8759590 0.97 KMT2A (0.52) SMN1; SMN2TSHRHTTCYP1A2CYP3A4
SCHEMBL8631402 0.91 MAPT (0.57) HTTMEN1KMT2AMAPTLMNA
SCHEMBL8632208 0.84 STAT3 (0.51) SMN1; SMN2KMT2AMAPTLMNAALDH1A1
SCHEMBL8632286 0.83 KIT (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8632837 0.82 LMNA (0.51) CYP2C9CYP2C19MEN1KMT2AMAPT
SCHEMBL8632960 0.79 KEAP1 (0.51) SMN1; SMN2TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL8631178 0.79 STAT3 (0.47) TSHRHTTMEN1KMT2AMAPT
SCHEMBL8627973 0.79 KDM1A (0.51) TSHRHTTMEN1KMT2AMAPT
SCHEMBL8634763 0.79 NAT1 (0.45) SMN1; SMN2TSHRHTTMEN1KMT2A
SCHEMBL8631560 0.79 SLC40A1 (0.44) MAPTKAT6AKDR

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