SCHEMBL9017207

SCHEMBL9017207

O=C(O)c1cccc(Oc2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
NAPRT Q6XQN6 1/20 0.56
P4HTM Q9NXG6 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 5/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGER1 P34995 1/20 0.49
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.42
P2RX3 P56373 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
MGAM O43451 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39

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
SCHEMBL13222885 0.90 LMNA (0.49) LMNANAPRTP4HTML3MBTL1KDM4E
SCHEMBL12129562 0.84 KDM4E (0.58) LMNAP4HTML3MBTL1KDM4EALOX15
SCHEMBL7110101 0.81 KDM4E (0.57) LMNANAPRTP4HTML3MBTL1KDM4E
Dipicolinic Acid SCHEMBL3262108 0.78 LMNA (0.83) LMNANAPRTP4HTML3MBTL1KDM4E
SCHEMBL4811257 0.77 LMNA (0.62) LMNANAPRTP4HTML3MBTL1KDM4E
SCHEMBL409030 0.75 KDM4E (0.55) LMNAP4HTML3MBTL1KDM4EALOX15
SCHEMBL11541004 0.74 P4HTM (0.55) LMNANAPRTP4HTML3MBTL1KDM4E
SCHEMBL15940538 0.74 KDM4E (0.57) LMNANAPRTP4HTML3MBTL1KDM4E
SCHEMBL16555707 0.74 LMNA (0.68) LMNANAPRTP4HTML3MBTL1KDM4E
2-Picolinic Acid SCHEMBL674837 0.73 LMNA (1.00) LMNANAPRTP4HTML3MBTL1KDM4E

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-0537816-B1 Herbicidal picolinamide derivatives SHELL INT RESEARCH (NL) 1996-04-24 EP disclosed
US-5371061-A Herbicidal picolinamide derivatives AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
EP-0537816-A1 Herbicidal picolinamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-21 EP disclosed