SCHEMBL12834263

SCHEMBL12834263

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(N)cc4)ccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
HPSE Q9Y251 10/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AURKB Q96GD4 1/20 0.43
ABL1 P00519 1/20 0.43
LOXL2 Q9Y4K0 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
SCHEMBL12833934 0.94 ADORA2A (0.48) ADORA2AHPSEMAPTHDAC3HDAC1
SCHEMBL12834486 0.93 HPSE (0.48) ADORA2AHPSEMAPTSMN1; SMN2HDAC3
SCHEMBL12834282 0.93 HPSE (0.48) ADORA2AHPSEMAPTSMN1; SMN2POLB
SCHEMBL12833884 0.93 HPSE (0.48) ADORA2AHPSEMAPTSMN1; SMN2POLB
SCHEMBL12833725 0.93 HPSE (0.48) ADORA2AHPSESMN1; SMN2POLBHDAC3
SCHEMBL12833800 0.93 HPSE (0.49) ADORA2AHPSEHDAC3HDAC1HDAC2
SCHEMBL14531461 0.92 ADORA2A (0.51) ADORA2AHPSEMAPTSMN1; SMN2LMNA
SCHEMBL12834169 0.91 HPSE (0.48) ADORA2AHPSEHDAC3HDAC1HDAC2
SCHEMBL12834217 0.90 HPSE (0.48) ADORA2AHPSESMN1; SMN2POLBHDAC3
SCHEMBL14090897 0.90 HPSE (0.46) ADORA2AHPSEMAPTHDAC3HDAC1

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-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 EP disclosed