SCHEMBL9529052

SCHEMBL9529052

O=C(O)CC1C(=O)N(CCc2c[nH]c3ccc(Cl)cc23)CCN1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SNCA P37840 11/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 1/20 0.41
KCNH2 Q12809 1/20 0.41
HPGD P15428 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
Acetic Acid SCHEMBL10491368 0.90 MTNR1A (0.43) LMNAMEN1TP53MAPTKMT2A
SCHEMBL10491366 0.89 KMT2A (0.43) LMNAMEN1TP53MAPTKMT2A
SCHEMBL9529850 0.87 NPC1 (0.49) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9529587 0.84 PDE4D (0.40) LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL9530049 0.82 KMT2A (0.45) MEN1MAPTKMT2ASMN1; SMN2HTR6
SCHEMBL10491427 0.79 SLC6A4 (0.46) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10491383 0.78 SMN1; SMN2 (0.48) LMNAMEN1MAPTKMT2ASMN1; SMN2
Acetic Acid SCHEMBL10491387 0.78 HPGD (0.49) LMNAMAPTTDP1SMN1; SMN2HPGD
Acetic Acid SCHEMBL10491431 0.78 RAB9A (0.48) LMNAMEN1MAPTKMT2ATDP1
SCHEMBL9527410 0.78 SLC6A4 (0.44) LMNAMEN1TP53MAPTKMT2A

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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed