SCHEMBL9324768

SCHEMBL9324768

O/N=C(\Cc1ccncc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
CYP19A1 P11511 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
CTSL P07711 1/20 0.44
XDH P47989 1/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLOD1 Q02809 1/20 0.43

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
SCHEMBL9324776 1.00 KDM4E (0.46) KDM4ESMN1; SMN2FNTAFNTBCYP19A1
SCHEMBL9321485 0.93 GAA (0.50) KDM4ESMN1; SMN2CYP19A1GPBAR1GAA
SCHEMBL9321480 0.93 GAA (0.50) KDM4ESMN1; SMN2CYP19A1GPBAR1GAA
SCHEMBL4586157 0.86 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHCTBP2
SCHEMBL257218 0.86 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHCTBP2
SCHEMBL4586154 0.86 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHCTBP2
SCHEMBL14519360 0.84 FNTA (0.44) KDM4EFNTAFNTBCYP19A1GAA
SCHEMBL23410797 0.82 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2ALDH1A1XDHCYP3A4
SCHEMBL6091876 0.82 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2ALDH1A1XDHCYP3A4
SCHEMBL6091878 0.82 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2ALDH1A1XDHCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278090-B1 2-Aminoacetamide pyridinyl derivatives FISONS CORP (US) 1994-01-26 EP disclosed
US-4769466-A 2-aminoacetamide pyridinyl derivatives PENNWALT CORPORATION (US) 1988-09-06 US disclosed
EP-0278090-A2 2-Aminoacetamide pyridinyl derivatives FISONS CORPORATION (US) 1988-08-17 EP disclosed