SCHEMBL9506559

SCHEMBL9506559

O=C(Cc1ccccn1)OCC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GLS O94925 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL10571510 0.99 HPGD (0.53) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10572413 0.94 GLS (0.49) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10575121 0.83 HPGD (0.53) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10575554 0.79 CYP19A1 (0.57) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10573036 0.78 CYP19A1 (0.58) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10576900 0.78 CYP19A1 (0.58) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10572702 0.78 CYP19A1 (0.58) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10528775 0.78 HPGD (0.62) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10575267 0.77 CYP19A1 (0.54) HPGDRECQLMEN1KMT2AGLS
SCHEMBL10571875 0.77 HPGD (0.64) HPGDRECQLMEN1KMT2AGLS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1265024-A None JP disclosed
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP disclosed
JP-H01265024-A 2-PYRIDYLACETIC ACID DERIVATIVE AND MEDICINE CONTAINING SAME SUNTORY LTD 1989-10-23 JP disclosed
EP-0336561-A1 2-Pyridylacetic acid derivatives, preparations thereof, and compositions containing them SUNTORY LIMITED (JP) 1989-10-11 EP disclosed