SCHEMBL7879544

SCHEMBL7879544

CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCc3ncc[nH]3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TBXA2R P21731 3/20 0.38
TBXAS1 P24557 3/20 0.38
PRMT1 Q99873 2/20 0.38
NAMPT P43490 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL7879555 0.87 TDP1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL7877387 0.86 ALDH1A1 (0.55) ALDH1A1LMNAHTTSMN1; SMN2TP53
SCHEMBL7877347 0.85 ALDH1A1 (0.42) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL7876919 0.82 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL7879591 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL7868545 0.78 TBXAS1 (0.39) SMN1; SMN2TBXAS1NAMPT
SCHEMBL7875230 0.77 TBXAS1 (0.37) TBXAS1NAMPT
SCHEMBL6886366 0.76 CA1 (0.45) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL9021230 0.74 CA9 (0.38) SMN1; SMN2CA1CA2
SCHEMBL7876928 0.73 NPC1 (0.44) SMN1; SMN2KMT2ACA1NAMPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed