SCHEMBL9405343

SCHEMBL9405343

CN(C)P(=NC(C)(C)c1ccccc1)(N(C)C)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL3281006 0.78 KCNN4 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL3447538 0.72 MAPK1 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL3447537 0.72 MAPK1 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10762949 0.71 MAPK1 (0.38) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL246162 0.69 ALDH1A1 (0.46) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL8198683 0.69 MAPK1 (0.44) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10608311 0.67 MAPK1 (0.42) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10608306 0.67 MAPK1 (0.42) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL13967872 0.67 ALDH1A1 (0.41) KCNN4MAPK1ALDH1A1ALOX15KMT2A
SCHEMBL1149712 0.65 KCNN4 (0.59) KCNN4MAPK1ALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160824-B2 Reaction product of olefinically unsaturated compounds with active hydrogen compounds, process for their preparation and 2-component coating systems based thereon HOECHST AG (DE) 1994-08-03 EP disclosed
EP-0224158-B1 Hardenable mixture based on olefinically unsaturated compounds and active hydrogen-containing compounds. HOECHST AG (DE) 1993-12-22 EP disclosed
US-5169979-A Cures rapidly at low temperatures; surface coatings HOECHST AG (DE) 1992-12-08 US disclosed
US-5159024-A Isocyanate blocked with a dialkyl malonate HOECHST AG (DE) 1992-10-27 US disclosed
US-5084536-A Reaction product of olefinically unsaturated compounds with compounds containing active hydrogen, processes for their preparation and 2-component lacquers based thereon HOECHST AG (DE) 1992-01-28 US disclosed
EP-0310011-B1 CURING AGENT AND ITS USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-24 EP disclosed
US-4871822-A Reaction product of olefinically unsaturated compounds with compounds containing active hydrogen, processes for their preparation and 2-component lacquers based thereon HOE 85/F O36J HOECHST AG (DE) 1989-10-03 US disclosed
EP-0160824-B1 REACTION PRODUCT OF OLEFINICALLY UNSATURATED COMPOUNDS WITH ACTIVE HYDROGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION AND 2-COMPONENT COATING SYSTEMS BASED THEREON HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-06 EP disclosed
EP-0310011-A1 Curing agent and its use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed
EP-0160824-A1 Reaction product of olefinically unsaturated compounds with active hydrogen compounds, process for their preparation and 2-component coating systems based thereon HOECHST AKTIENGESELLSCHAFT (DE) 1985-11-13 EP disclosed