SCHEMBL7061211

SCHEMBL7061211

NCCNCCNCc1ccccc1N=C=S

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 8/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA2 P00918 5/20 0.39
▸ CA9 Q16790 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CCR2 P41597 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
SCHEMBL8728324 0.77 ALDH1A1 (0.31) CHRM2HSD17B10ABCB11ALDH1A1NR3C1
SCHEMBL21634029 0.75 ALDH1A1 (0.47) HSD17B10ABCB11ALDH1A1NR3C1CYP1A2
Acetic Acid SCHEMBL8076699 0.74 OPRD1 (0.36) KDM4E
SCHEMBL18575559 0.74 CA12 (0.54) CHRM2CA12CA2CA9HSD17B10
SCHEMBL479451 0.72 P2RY6 (0.50) CHRM2CA12CA2CA9ALDH1A1
Ethane SCHEMBL27493264 0.72 ALDH1A1 (0.44) HSD17B10ABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL3923943 0.71 ALDH1A1 (0.41) HSD17B10ABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL7195622 0.70 ALDH1A1 (0.50) HSD17B10ABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL4919388 0.70 CHRM2 (0.73) CHRM2CA12CA2CYP3A4TSHR
SCHEMBL4909307 0.70 CHRM2 (0.73) CHRM2CA12CA2CYP3A4TSHR

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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