SCHEMBL5679281

SCHEMBL5679281

Cc1ccccc1COS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
FFAR1 O14842 1/20 0.40
MAOB P27338 1/20 0.40
CTBP2 P56545 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1I2 O75469 1/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL28355591 0.98 CA2 (0.44) CA2FFAR1MAOBCTBP2CDK4
SCHEMBL23466949 0.97 CA2 (0.43) CA2FFAR1MAOBCTBP2CDK4
SCHEMBL776996 0.81 IDO1 (0.48) CA2MAOBALDH1A1KDM4EMEN1
SCHEMBL28164885 0.81 CA2 (0.50) CA2MEN1KMT2ACA1TAAR1
SCHEMBL20478018 0.80 IDO1 (0.50) CA2ALDH1A1KDM4EGAAATM
SCHEMBL776265 0.80 MAOB (0.45) MAOBCTBP2CDK4CCND1ALDH1A1
SCHEMBL28509699 0.79 CA2 (0.49) CA2FFAR1ALDH1A1KMT2ACA1
SCHEMBL21645319 0.79 IDO1 (0.56) CA2FFAR1MAOBALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28355658 0.79 IDO1 (0.47) CA2MAOBALDH1A1KDM4ENR1I2
SCHEMBL5676950 0.79 IDO1 (0.47) CA2MAOBCTBP2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110683975-B Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2021-04-09 CN claimed
CN-110683975-A Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2020-01-14 CN claimed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US disclosed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP disclosed