SCHEMBL16227396

SCHEMBL16227396

CCS(=O)(=O)O.OCCN1CCN(I)CC1

nearest known ligand 0.41

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
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4304201 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL16588379 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL626439 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL2882040 0.80 MEN1 (0.43) ALDH1A1KDM4EKMT2ACHRM2CHRM1
Alcohol SCHEMBL7566185 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL28919252 0.78 HSD11B1 (0.41) ALDH1A1KDM4EHTTCHRM2CHRM1
Sulfuric Acid SCHEMBL9359044 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL83682 0.77 POLB (0.38) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL28790654 0.77 POLB (0.38) ALDH1A1KDM4EKMT2ALMNAMEN1
2-Mercaptoethanol SCHEMBL1809193 0.77 PTGS1 (0.39) ALDH1A1KDM4EKMT2ALMNAHTT

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-9377438-B2 Kit for co-purification and concentration of DNA and proteins using isotachophoresis THE JOHNS HOKPINS UNIVERSITY (US) 2016-06-28 US disclosed
US-20140332389-A1 KIT FOR CO-PURIFICATION AND CONCENTRATION OF DNA AND PROTEINS USING ISOTACHOPHORESIS THE JOHNS HOPKINS UNIVERSITY 2014-11-13 US disclosed