SCHEMBL11459840

SCHEMBL11459840

CCCCCCN(CCl)S(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
DNM1 Q05193 3/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SERPINE1 P05121 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR3 Q9UBY5 3/20 0.35
FAAH O00519 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL11448965 1.00 S1PR2 (0.40) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11456471 0.98 S1PR2 (0.37) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11467240 0.91 CA1 (0.37) S1PR2S1PR1S1PR3S1PR5ALDH1A1
SCHEMBL11676295 0.89 DNM1 (0.44) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11571274 0.86 ALDH1A1 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11571089 0.86 ALDH1A1 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11571290 0.86 ALDH1A1 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1
SCHEMBL11450059 0.82 CA1 (0.52) ALDH1A1RAB9ACA12CA1CA2
Hydrochloric Acid SCHEMBL11448967 0.82 DNM1 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1
Hydrochloric Acid SCHEMBL11459842 0.82 DNM1 (0.41) S1PR2S1PR1S1PR3S1PR5DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096181-A Substituted sulfamic acid halides BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 US claimed
US-4219499-A INTERMEDIATES FOR HERBICIDES, DYES AND ANTICARCINOGENS BASF AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4131620-A ETHERIFICATION OF N-(2-HALOALKYL)-SULFAMIC ACID HALIDES BASF AKTIENGESELLSCHAFT (DE) 1978-12-26 US disclosed
US-4096181-A Substituted sulfamic acid halides BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed