SCHEMBL9339255

SCHEMBL9339255

C=CS(=O)(=O)CCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.43
SIGMAR1 Q99720 2/20 0.38
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM1A O60341 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NMT1 P30419 1/20 0.32
LOX P28300 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 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
Hydrochloric Acid SCHEMBL9327611 0.98 CXCR4 (0.42) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL9339369 0.89 POLB (0.38) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL3900752 0.76 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL1647095 0.76 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL3900755 0.76 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL1023067 0.76 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL8558366 0.74 ALOX15 (0.31)
Hydrochloric Acid SCHEMBL1899200 0.74 CXCR4 (0.46) CXCR4SIGMAR1POLBSMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL5865342 0.74 CXCR4 (0.46) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15735731 0.74 CXCR4 (0.46) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1

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