SCHEMBL7061213

SCHEMBL7061213

NCCNCCN(Cc1ccccc1)N=C=S

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ REN P00797 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ MIF P14174 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ G6PC1 P35575 1/20 0.34

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 SCHEMBL28005843 0.92 REN (0.42) MAOAMAOBRENCARM1PRMT6
Acetic Acid SCHEMBL28850624 0.88 REN (0.39) MAOAMAOBRENCARM1PRMT6
SCHEMBL28055858 0.85 CARM1 (0.49) MAOAMAOBCARM1PRMT6PRMT8
Acetic Acid SCHEMBL28964371 0.81 KEAP1 (0.39) RENKCNH2SIGMAR1MIF
Acetic Acid SCHEMBL27771245 0.77 CARM1 (0.45) MAOAMAOBCARM1PRMT6PRMT8
SCHEMBL11293490 0.75 CARM1 (0.47) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL21121016 0.73 CARM1 (0.46) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL28789449 0.72 CARM1 (0.49) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL8507573 0.72 REN (0.47) RENCARM1PRMT6PRMT8KCNH2
SCHEMBL11519645 0.70 CHRM2 (0.53) MAOACARM1PRMT6PRMT8SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032073-A1 Method for diagnosis and therapy of Hodgkin's lymphomas HEIDER KARL-HEINZ (AT) 2003-02-13 — — US disclosed
US-6372441-B1 DETECTING THE EXPRESSION OF THE VARIABLE EXON V10 IN THE CD44 GENE IN A PATIENT OR IN A SAMPLE OBTAINED FROM A PATIENT, WHEREIN THE EXPRESSION OF THE VARIABLE EXON V10 IN THE CD44 GENE INDICATES HODGKIN'S LYMPHOMAS FORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) 2002-04-16 — — US disclosed
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