SCHEMBL11236178

SCHEMBL11236178

COc1cc(NC(C)=O)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
PABPC1 P11940 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

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
SCHEMBL12885646 0.87 ALDH1A1 (0.57) ALDH1A1CTSLCTSBMAPK1SMN1; SMN2
SCHEMBL28814357 0.84 ALDH1A1 (0.50) ALDH1A1MAPK1HPGDLMNAALOX15
SCHEMBL11618110 0.83 TDP1 (0.62) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL30492996 0.81 SMN1; SMN2 (0.68) ALDH1A1MAPK1SMN1; SMN2LMNAALOX15
SCHEMBL1851780 0.81 SMN1; SMN2 (0.68) ALDH1A1MAPK1SMN1; SMN2LMNAALOX15
SCHEMBL9472298 0.81 ALDH1A1 (0.57) ALDH1A1MAPK1SMN1; SMN2HPGDLMNA
SCHEMBL16379426 0.80 POLB (0.66) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL4600683 0.79 SMN1; SMN2 (0.54) ALDH1A1CTSLCTSBMAPK1SMN1; SMN2
SCHEMBL9391354 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1SMN1; SMN2LMNAALOX15
SCHEMBL4785449 0.79 ALDH1A1 (0.62) ALDH1A1MAPK1SMN1; SMN2LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US claimed
US-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed
US-4098893-A PYRIDINE DERIVATIVES AND THEIR USE AS ANTICOCCIDIAL AGENTS SANKYO COMPANY LIMITED (JP) 1978-07-04 US disclosed
US-4054663-A POULTRY FEEDS SANKYO COMPANY LIMITED (JA) 1977-10-18 US disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US disclosed
US-3966755-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1976-06-29 US disclosed