SCHEMBL7289967

SCHEMBL7289967

COc1cc(C(=O)O)c(C(=O)c2ccnc(Br)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CASP3 P42574 3/20 0.45
SENP6 Q9GZR1 3/20 0.45
APAF1 O14727 2/20 0.45
NSD2 O96028 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
TDP2 O95551 1/20 0.45
PPP1CA P62136 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MYC P01106 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SRC P12931 3/20 0.42
TGFBR1 P36897 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7299063 0.83 CASP3 (0.43) LCKFYNCASP3SENP6APAF1
SCHEMBL7295979 0.83 PRKDC (0.44) LCKFYNCASP3SENP6APAF1
SCHEMBL7290699 0.82 CASP3 (0.42) LCKFYNCASP3SENP6APAF1
SCHEMBL7289360 0.81 LCK (0.49) LCKFYNCASP3SENP6MYC
SCHEMBL8557481 0.76 KDM4E (0.61) LCKFYNCASP3SENP6ALDH1A1
SCHEMBL28786825 0.75 LMNA (0.47) ALDH1A1L3MBTL1KDM4ECA12CA9
SCHEMBL7380614 0.74 LCK (0.60) LCKFYNALDH1A1CYP1A2CYP2C19
SCHEMBL40395 0.73 KDM4C (0.61) ALDH1A1KDM4EKDM4CMAPT
SCHEMBL30527973 0.73 KDM4C (0.61) ALDH1A1KDM4EKDM4CMAPT
SCHEMBL1417516 0.73 LCK (0.72) LCKFYNMYCALDH1A1CYP3A4

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-0848000-B1 Pharmaceutical pyridine derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO (JP) 2002-06-12 EP disclosed
US-5965730-A SELECTIVE PHOSPHODIESTEARASE IV INHIBITOR HAVING BRONCHODIALATION AND ANTI-INFLAMMATORY ACTIVITY; PROPHYLAXIS AND TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-10-12 US disclosed
EP-0848000-A1 Pharmaceutical pyridine derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1998-06-17 EP disclosed