SCHEMBL8301638

SCHEMBL8301638

COc1cc(NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)c(C(=O)NCc2ccc3c(c2)OCO3)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
HPGD P15428 3/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
USP2 O75604 1/20 0.49
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
MCL1 Q07820 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8298680 0.87 HSP90AA1 (0.48) PKMHPGDKMT2AMEN1ALDH1A1
SCHEMBL8301336 0.85 KDM4E (0.46) PKMHPGDKMT2AMEN1LMNA
SCHEMBL8301333 0.85 KDM4E (0.46) PKMHPGDKMT2AMEN1LMNA
SCHEMBL8292747 0.84 HSP90AA1 (0.55) PKMHPGDKMT2AMEN1ALDH1A1
SCHEMBL8297238 0.82 POLB (0.53) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL8301482 0.81 HSD17B10 (0.62) PKMHPGDKMT2AMEN1USP2
SCHEMBL8566730 0.79 HPGD (0.47) PKMHPGDKMT2AUSP2ALDH1A1
SCHEMBL8297954 0.79 PKM (0.68) PKMHPGDKMT2AMEN1USP2
SCHEMBL8301192 0.78 KMT2A (0.48) PKMKMT2AMEN1ALDH1A1POLB
SCHEMBL8292270 0.78 PDE11A (0.43) PKMHPGDKMT2AMEN1LMNA

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-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed