SCHEMBL7877347

SCHEMBL7877347

CC(C)(NCCCc1ncc[nH]1)c1ccc(CCNS(=O)(=O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HTT P42858 5/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
F10 P00742 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
FLT3 P36888 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
SFRP1 Q8N474 1/20 0.34

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 0.86 TDP1 (0.47) ALDH1A1HTTLMNASMN1; SMN2TSHR
SCHEMBL7876919 0.86 ALDH1A1 (0.46) ALDH1A1HTTLMNASMN1; SMN2MAPK1
SCHEMBL7879544 0.85 ALDH1A1 (0.44) ALDH1A1HTTLMNASMN1; SMN2TSHR
SCHEMBL7877387 0.85 ALDH1A1 (0.55) ALDH1A1HTTLMNASMN1; SMN2PKM
SCHEMBL9020923 0.81 F10 (0.39) ALDH1A1HTTLMNASMN1; SMN2F10
SCHEMBL7873708 0.78 CYP19A1 (0.51) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL7875230 0.77 TBXAS1 (0.37)
SCHEMBL9021230 0.75 CA9 (0.38) SMN1; SMN2CA1CA2
SCHEMBL7877318 0.73 CA9 (0.41) LMNASMN1; SMN2KMT2AMEN1CA1
SCHEMBL7873916 0.73 F10 (0.37) F10

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 6 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
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed