SCHEMBL9314877

SCHEMBL9314877

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
BAZ2B Q9UIF8 2/20 0.46
PDGFRB P09619 1/20 0.45
MAPK1 P28482 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL9315604 0.90 MAPT (0.55) KMT2AMAPTMEN1TDP1PDGFRB
SCHEMBL9315820 0.86 MEN1 (0.58) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9314846 0.85 BAZ2B (0.46) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9314841 0.83 BAZ2B (0.45) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9315615 0.83 PTGDR2 (0.48) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9315614 0.83 PTGDR2 (0.48) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9314695 0.81 TRPV1 (0.47) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9315622 0.80 SMN1; SMN2 (0.53) KMT2AMAPTMEN1CYP1A2CYP2D6
SCHEMBL9315583 0.79 MAPT (0.48) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL9316061 0.78 BAZ2B (0.45) KMT2AMAPTMEN1CYP1A2CYP3A4

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