SCHEMBL10918915

SCHEMBL10918915

CCOC(=O)C(=C(Cl)Cl)c1cccn1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL10919254 0.81 NPC1 (0.47) NPC1RAB9AKDM4EMAOBL3MBTL1
SCHEMBL10917982 0.79 SMN1; SMN2 (0.45) NPC1RAB9AMAOBSMN1; SMN2HSD17B10
SCHEMBL11149230 0.78 NPC1 (0.43) NPC1RAB9AKDM4ETDP1MAOB
SCHEMBL8575841 0.78 ALDH1A1 (0.44) NPC1RAB9AKDM4ETDP1MAOB
SCHEMBL2399420 0.77 NPC1 (0.57) NPC1RAB9AKDM4ETDP1L3MBTL1
Hydrochloric Acid SCHEMBL11148314 0.77 MAOB (0.43) NPC1RAB9AKDM4ETDP1MAOB
Hydrochloric Acid SCHEMBL10917984 0.76 NPC1 (0.45) NPC1RAB9AMAOBSMN1; SMN2HSD17B10
SCHEMBL25062709 0.72 NPC1 (0.45) NPC1RAB9AKDM4EMAOBSMN1; SMN2
SCHEMBL5795584 0.72 MAOB (0.48) NPC1RAB9AKDM4ETDP1MAOB
SCHEMBL11152138 0.72 NPC1 (0.46) NPC1RAB9AKDM4ETDP1SMN1; SMN2

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-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 — — EP claimed
EP-0048954-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND INTERMEDIATE PRODUCTS FOR THE PREPARATION THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 — — EP disclosed
EP-0048954-A2 Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-04-07 — — EP disclosed
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