SCHEMBL6010040

SCHEMBL6010040

CCS(=O)(=O)O.OCCN1CCNCC1.[Na]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CXCR4 P61073 2/20 0.36
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
NMT1 P30419 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL83682 0.98 POLB (0.38) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL28790654 0.98 POLB (0.38) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28378505 0.96 SMN1; SMN2 (0.37) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL28018788 0.96 POLB (0.37) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Alcohol SCHEMBL28979374 0.96 POLB (0.37) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Water SCHEMBL27783793 0.95 POLB (0.36) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Potassium Ion SCHEMBL27651535 0.95 POLB (0.36) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Sulfuric Acid SCHEMBL28720448 0.91 POLB (0.34) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
SCHEMBL108942 0.90 ALDH1A1 (0.36) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A
Sulfuric Acid SCHEMBL29010960 0.89 POLB (0.39) POLBSMN1; SMN2HSD17B10ALDH1A1KMT2A

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
CN-112094889-A Chemiluminescence sensor and application in detection of bacterial or human methyltransferase 山东师范大学 2020-12-18 CN disclosed
US-20060269826-A1 Novel electrode with switchable and tunable power output and fuel cell using such electrode YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW OF JERUSALEM (IL) 2006-11-30 US disclosed