SCHEMBL9824445

SCHEMBL9824445

CCCCCOC(=O)C(C)Sc1cc(NC(=S)N2CCCCN2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 3/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL9824039 0.83 SMN1; SMN2 (0.40) NPSR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10338291 0.77 NPSR1 (0.35) NPSR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9824718 0.72 NPSR1 (0.35) NPSR1NPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL9824869 0.69 POLB (0.31) NPSR1MAPTKDM4EL3MBTL1POLB
SCHEMBL9824864 0.69 POLB (0.31) NPSR1MAPTKDM4EL3MBTL1POLB
SCHEMBL10697434 0.67 NPC1 (0.32) NPSR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9434432 0.66 NPSR1 (0.31) NPSR1POLBUBE2MDCUN1D1
SCHEMBL9824287 0.64 GAA (0.37) NPSR1SMN1; SMN2HPGDCYP1A2CYP2C9
SCHEMBL9764390 0.63 ALDH1A1 (0.44) NPSR1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL9824044 0.63 GSK3A (0.36) RAB9ASMN1; SMN2HPGDKMT2AKDM4E

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-0273417-B1 THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-21 EP disclosed
US-4885023-A EFFECTIVE IN LOW DOSE AGAINST PADDY FIELD, UPLAND FIELD AND PERENNIAL WEEDS; NONPHYTOTOXIC KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-05 US disclosed
EP-0273417-A1 Thiadiazabicyclononane derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-06 EP disclosed