SCHEMBL7222183

SCHEMBL7222183

O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC(c2cccnc2)=NO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 2/20 0.60
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK10 P53779 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 3/20 0.55
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7222190 0.87 LMNA (0.65) CA1CA2LMNAKMT2AMEN1
SCHEMBL4799264 0.87 ALDH1A1 (0.62) CA1CA2LMNAKMT2AMEN1
SCHEMBL7893785 0.84 ALDH1A1 (0.58) CA1CA2LMNAKMT2AMEN1
SCHEMBL4797835 0.82 MEN1 (0.56) LMNAKMT2AMEN1ALDH1A1MAPK10
SCHEMBL4799530 0.82 ALDH1A1 (0.63) CA1CA2LMNAKMT2AMEN1
SCHEMBL4799279 0.82 ALDH1A1 (0.63) CA1CA2LMNAKMT2AMEN1
SCHEMBL4799265 0.82 ALDH1A1 (0.63) CA1CA2LMNAKMT2AMEN1
SCHEMBL7893788 0.82 ALDH1A1 (0.58) CA1CA2LMNAKMT2AMEN1
SCHEMBL4800211 0.82 ALDH1A1 (0.65) CA1CA2LMNAKMT2AMEN1
SCHEMBL7890173 0.81 ALDH1A1 (0.62) CA1CA2LMNAKMT2AMEN1

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-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 US disclosed