SCHEMBL7879591

SCHEMBL7879591

CNC(=O)c1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCn3ccnc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP19A1 P11511 3/20 0.47
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
TBXAS1 P24557 4/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7868654 0.91 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2CYP19A1LMNA
SCHEMBL9268617 0.89 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2CYP19A1LMNA
SCHEMBL7873784 0.87 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2CYP19A1LMNA
SCHEMBL7873778 0.86 CYP19A1 (0.54) ALDH1A1SMN1; SMN2CYP19A1LMNAHTT
SCHEMBL7876913 0.85 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2CYP19A1LMNA
SCHEMBL7873708 0.85 CYP19A1 (0.51) ALDH1A1KMT2ASMN1; SMN2CYP19A1LMNA
SCHEMBL7879552 0.82 CYP19A1 (0.64) ALDH1A1KMT2ACYP19A1MEN1POLB
SCHEMBL7876935 0.79 SMN1; SMN2 (0.56) ALDH1A1KMT2ASMN1; SMN2CYP19A1HTT
SCHEMBL7879544 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL8445910 0.77 CYP19A1 (0.47) KMT2ASMN1; SMN2CYP19A1MEN1TBXAS1

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