SCHEMBL8995002

SCHEMBL8995002

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(CN=NC(=O)c3cccnc3)cc2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTB4R Q15722 2/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL8995092 0.88 LTB4R (0.43) LMNANFKB1NFKB2RELANPC1
SCHEMBL8592505 0.85 NFKB1 (0.39) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8589592 0.83 PPARG (0.38) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8994992 0.83 MAPT (0.47) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8593180 0.83 TBXAS1 (0.42) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8995047 0.82 LTB4R (0.47) TSHRLTB4RLTB4R2
SCHEMBL8592509 0.81 LTB4R (0.40) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8593181 0.81 LMNA (0.38) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8592332 0.81 GRM2 (0.38) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL8592513 0.80 LMNA (0.39) LMNAMAPTNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US claimed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed