SCHEMBL27504255

SCHEMBL27504255

COc1cccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.51
PRKDC P78527 1/20 0.51
ATR Q13535 1/20 0.51
ADORA3 P0DMS8 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
IKBKB O14920 1/20 0.47
ADORA2A P29274 1/20 0.47
DYRK3 O43781 1/20 0.45
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL2467723 0.89 MAPT (0.51) PRKDCATRADORA3ADORA2BADORA1
SCHEMBL2467819 0.86 KDM4E (0.52) PRKDCATRADORA3DYRK1ATP53
SCHEMBL2466456 0.83 KMO (0.49) PIN1ATRADORA1ADORA2AMAPT
SCHEMBL2467622 0.83 KMO (0.51) PIN1ATRADORA1IKBKBNPC1
SCHEMBL2469999 0.82 MAP2K3 (0.51) ADORA3ADORA1ADORA2AMAPTALDH1A1
SCHEMBL2468348 0.81 MAPT (0.54) ADORA3MAPTALDH1A1HPGDHSD17B10
SCHEMBL27837915 0.80 KMO (0.54) DYRK1AMAPTALDH1A1HPGDHSD17B10
SCHEMBL3329998 0.80 CTRC (0.54) ADORA1ADORA2ATP53MAPTALDH1A1
SCHEMBL3333535 0.79 CYP1A1 (0.50) MAPTALDH1A1HPGDCSNK2A1MEN1
SCHEMBL2466311 0.79 MAPT (0.45) ADORA3MAPTMEN1KMT2A

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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN disclosed
CN-1245401-C 6-aryl-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-03-15 CN disclosed
CN-1551876-A 6-aryl-4-aminopicolinates and their use as herbicides �ݶ�ũ�����޹�˾ 2004-12-01 CN disclosed