SCHEMBL8646156

SCHEMBL8646156

Cc1cc(OCCNc2ccnnc2)cc(N(CC(O)CO)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.47
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
BACE1 P56817 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8542185 0.91 F2 (0.58) F2GLAATMKMT2AMEN1
SCHEMBL8648794 0.90 F2 (0.51) F2GLAHPGDSMN1; SMN2
SCHEMBL7409794 0.88 F2 (0.63) F2HPGDKMT2AMEN1HTT
SCHEMBL7373800 0.88 F2 (0.54) F2HPGDALDH1A1SMN1; SMN2
SCHEMBL7372654 0.87 F2 (0.54) F2HPGDHTTLMNASMN1; SMN2
SCHEMBL7372831 0.87 F2 (0.54) F2HPGDHTTLMNASMN1; SMN2
SCHEMBL7412092 0.86 F2 (0.53) F2HPGDHTTLMNASMN1; SMN2
SCHEMBL8646096 0.86 F2 (0.47) F2ALDH1A1SMN1; SMN2
SCHEMBL8648601 0.82 F2 (0.59) F2HPGDKMT2AMEN1HTT
SCHEMBL8664965 0.80 F2 (0.62) F2HPGD

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-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed