SCHEMBL9315583

SCHEMBL9315583

S=C(Nc1ccccc1)N1CCc2[nH]c3c(cnc4cc(Cl)ccc43)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MCL1 Q07820 1/20 0.44
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDGFRB P09619 1/20 0.39
BAZ2B Q9UIF8 2/20 0.39
CHEK1 O14757 1/20 0.39
ABL1 P00519 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 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
SCHEMBL9315820 0.89 MEN1 (0.58) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9315604 0.87 MAPT (0.55) MAPTTDP1POLBMEN1KMT2A
SCHEMBL9315615 0.82 PTGDR2 (0.48) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9315614 0.82 PTGDR2 (0.48) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9314846 0.80 BAZ2B (0.46) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9314695 0.80 TRPV1 (0.47) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9314877 0.79 KMT2A (0.46) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL9314841 0.79 BAZ2B (0.45) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9316614 0.78 MEN1 (0.51) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9316061 0.76 BAZ2B (0.45) MAPTTDP1MEN1KMT2ACYP1A2

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-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US claimed
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed