SCHEMBL9339369

SCHEMBL9339369

C=CS(=O)(=O)CCN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR4 P61073 2/20 0.37
LOX P28300 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
RAD52 P43351 1/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9339255 0.89 CXCR4 (0.43) POLBSMN1; SMN2CXCR4LOXALDH1A1
Hydrochloric Acid SCHEMBL9327611 0.87 CXCR4 (0.42) POLBSMN1; SMN2CXCR4LOXALDH1A1
SCHEMBL8558366 0.86 ALOX15 (0.31) MEN1KMT2A
Hydrochloric Acid SCHEMBL5485399 0.79 POLB (0.34) POLBSMN1; SMN2CXCR4LOXALDH1A1
Vinylsulfonic Acid SCHEMBL7860643 0.74 POLB (0.36) POLBSMN1; SMN2CXCR4ALDH1A1MAPT
SCHEMBL12668631 0.74 POLB (0.42) POLBSMN1; SMN2CXCR4LOXALDH1A1
SCHEMBL616071 0.74 POLB (0.42) POLBSMN1; SMN2CXCR4LOXALDH1A1
SCHEMBL28914739 0.74 POLB (0.42) POLBSMN1; SMN2CXCR4LOXHSD17B10
SCHEMBL342435 0.74 POLB (0.42) POLBSMN1; SMN2CXCR4LOXALDH1A1
SCHEMBL22354553 0.73 HSD17B10 (0.39) SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333653-B1 Reactive dyes, process for their preparation and their use CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
EP-0315585-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-12-02 EP disclosed
EP-0313513-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-06-17 EP disclosed
EP-0302006-B1 REACTIVE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-02-05 EP disclosed
US-4963659-A DYEING CELLULOSE, PRINTING TEXTILES CIBA-GEIGY CORPORATION (US) 1990-10-16 US disclosed
US-4925927-A COTTON CIBA-GEIGY CORPORATION (US) 1990-05-15 US disclosed