SCHEMBL8953798

SCHEMBL8953798

CN(C)C(=O)NCc1ccc(CSc2cc(F)cc(C(=O)C3CCOCC3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.35
CCR2 P41597 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1F P30939 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL8953659 0.87 SIRT2 (0.38) KMT2ATSHRCCR2LMNASMN1; SMN2
SCHEMBL8953811 0.82 ALOX5 (0.40) KMT2ATSHRCCR2LMNASMN1; SMN2
SCHEMBL9250218 0.77 ALOX5 (0.42)
SCHEMBL8953842 0.72 ALOX5 (0.35) SMN1; SMN2PTGDR2TP53
SCHEMBL8953863 0.72 ALDH1A1 (0.45) KMT2ATSHRLMNAHPGD
SCHEMBL8953605 0.69 SIRT2 (0.37) KMT2ACCR2LMNASMN1; SMN2MAPT
SCHEMBL9254585 0.67 ALOX5 (0.42) TSHRMAPT
SCHEMBL8953563 0.64 MGLL (0.50) LMNASMN1; SMN2HTR1F
SCHEMBL20522128 0.64 HCAR1 (0.44) LMNASMN1; SMN2HTR1F
SCHEMBL8953782 0.64 MAOB (0.40) KMT2ASMN1; SMN2HRH3POLB

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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed