SCHEMBL7006403

SCHEMBL7006403

Nc1cccc([C@@H]2C[C@H]2NC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM1A O60341 5/20 0.44
EPHX2 P34913 8/20 0.43
CNR1 P21554 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TLR2 O60603 3/20 0.41
TLR1 Q15399 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7006409 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL14882154 0.84 EPHX2 (0.47) SMN1; SMN2NPSR1KDM1AEPHX2MAOB
SCHEMBL14882153 0.84 EPHX2 (0.47) SMN1; SMN2NPSR1KDM1AEPHX2MAOB
SCHEMBL3028226 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL6154005 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL7980208 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL3457343 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL6153775 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL3048130 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1KDM1AEPHX2CNR1
SCHEMBL20187076 0.81 KDM1A (0.51) SMN1; SMN2NPSR1KDM1AEPHX2CNR1

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
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed