SCHEMBL8301784

SCHEMBL8301784

COc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2NC(=O)[C@H]2CC[C@H](C(=O)O)CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 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
SCHEMBL8301788 1.00 POLB (0.46) POLBKDM4ELMNASMN1; SMN2KMT2A
SCHEMBL8416857 0.90 NLRP3 (0.45) POLBLMNAKMT2ANPC1HPGD
SCHEMBL8416853 0.90 NLRP3 (0.45) POLBLMNAKMT2ANPC1HPGD
SCHEMBL8292073 0.87 NPC1 (0.47) KDM4ELMNAKMT2ANPC1ALDH1A1
SCHEMBL8292075 0.87 NPC1 (0.47) KDM4ELMNAKMT2ANPC1ALDH1A1
SCHEMBL8293091 0.85 NPC1 (0.46) KDM4ELMNAKMT2ANPC1HPGD
SCHEMBL8293088 0.85 NPC1 (0.46) KDM4ELMNAKMT2ANPC1HPGD
SCHEMBL8301610 0.84 PDE5A (0.45) LMNAKMT2ANPC1ALDH1A1HPGD
SCHEMBL8301612 0.84 PDE5A (0.45) LMNAKMT2ANPC1ALDH1A1HPGD
SCHEMBL8293493 0.83 PDE5A (0.53) LMNANPC1HPGDPKMRAB9A

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