SCHEMBL8300413

SCHEMBL8300413

O=C(CCl)Nc1ccc(Cl)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 4/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH2 P05091 1/20 0.55
NPC1 O15118 1/20 0.53

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
SCHEMBL8299752 0.89 HPGD (0.55) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL27416400 0.89 MEN1 (0.55) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8293093 0.88 HPGD (0.59) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8292110 0.88 MEN1 (0.54) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8300998 0.87 HPGD (0.53) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8300993 0.87 MEN1 (0.53) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8301382 0.86 MCHR1 (0.63) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8299253 0.85 ALDH1A1 (0.53) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8291718 0.85 MEN1 (0.58) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL8301481 0.84 SMN1; SMN2 (0.55) MEN1KMT2AHPGDTSHRMAPT

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