SCHEMBL3518633

SCHEMBL3518633

O=C(OO)c1cnc2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PTK2 Q05397 1/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4277314 0.84 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL28062794 0.84 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL851358 0.81 ALDH1A1 (0.69) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL29540343 0.81 ALDH1A1 (0.69) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL27347353 0.80 ALDH1A1 (0.74) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL28065953 0.80 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL724711 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL15111907 0.80 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL38658780 0.80 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL30494127 0.80 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2

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
EP-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
CN-100441585-C Rhodium and iridium complexes COVION ORGANIC SEMICONDUCTORS (DE) 2008-12-10 CN disclosed
CN-1500093-A Rhodium and iridium complexes �����л��뵼�����޹�˾ 2004-05-26 CN disclosed