SCHEMBL9315604

SCHEMBL9315604

S=C(NCc1ccccc1)N1CCc2[nH]c3c(cnc4cc(Cl)ccc43)c2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
PDGFRB P09619 4/20 0.54
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.40
KIT P10721 1/20 0.39
PDGFRA P16234 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
SCHEMBL9314877 0.90 KMT2A (0.46) MAPTTDP1ALDH1A1GAAMAPK1
SCHEMBL9315583 0.87 MAPT (0.48) MAPTTDP1ALDH1A1GAAMAPK1
SCHEMBL9315615 0.81 PTGDR2 (0.48) MAPTGAAMAPK1MEN1KMT2A
SCHEMBL9315614 0.81 PTGDR2 (0.48) MAPTGAAMAPK1MEN1KMT2A
SCHEMBL9315820 0.80 MEN1 (0.58) MAPTGAAMAPK1PDGFRBMEN1
SCHEMBL9314846 0.79 BAZ2B (0.46) MAPTALDH1A1GAAMAPK1MEN1
SCHEMBL9314695 0.78 TRPV1 (0.47) MAPTALDH1A1GAAMAPK1MEN1
SCHEMBL9315622 0.78 SMN1; SMN2 (0.53) MAPTTDP1ALDH1A1GAAPOLB
SCHEMBL9314841 0.77 BAZ2B (0.45) MAPTALDH1A1GAAMAPK1MEN1
SCHEMBL9316061 0.75 BAZ2B (0.45) MAPTTDP1ALDH1A1GAAMAPK1

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