SCHEMBL8299002

SCHEMBL8299002

CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cl)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.65
MCHR1 Q99705 3/20 0.53
HPGD P15428 3/20 0.51
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 1/20 0.44
PDE7B Q9NP56 1/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8298990 0.82 HSP90AA1 (0.45) HSP90AA1MCHR1HPGDALDH1A1KDM4E
SCHEMBL20677846 0.79 HSP90AA1 (1.00) HSP90AA1HPGDHCRTR1HCRTR2MEN1
SCHEMBL6941709 0.78 HPGD (0.64) MCHR1HPGDMEN1KMT2AMAPK1
SCHEMBL8297206 0.77 HSP90AA1 (0.52) HSP90AA1MCHR1HPGDKMT2AGAA
SCHEMBL10107755 0.77 HSP90AA1 (0.66) HSP90AA1HPGDHCRTR1HCRTR2MEN1
Hydrochloric Acid SCHEMBL8300980 0.77 HPGD (0.63) MCHR1HPGDMEN1KMT2AMAPK1
SCHEMBL11390038 0.76 HPGD (0.64) HSP90AA1HPGDMEN1KMT2AMAPK1
SCHEMBL12632572 0.76 HSP90AA1 (0.60) HSP90AA1HPGDMEN1KMT2ATSHR
SCHEMBL8293883 0.74 HSP90AA1 (0.49) HSP90AA1MCHR1MEN1KMT2AALDH1A1
SCHEMBL14627750 0.74 NOS2 (0.48) HPGDTSHRCYP3A4ALDH1A1KDM4E

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 4 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
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed