SCHEMBL9790451

SCHEMBL9790451

Clc1nnnc(Oc2ccccc2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
PIN1 Q13526 2/20 0.38
ADORA2A P29274 1/20 0.38
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
BCAT2 O15382 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
NSD2 O96028 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL2403107 0.75 LTA4H (0.48) LTA4HTSHRADORA2ALMNAHTT
SCHEMBL9513980 0.72 LTA4H (0.44) LTA4HTSHRPIN1ADORA2ADPP4
SCHEMBL11217950 0.68 ALDH1A1 (0.45) LTA4HTSHRPIN1MAPTKMT2A
SCHEMBL9314176 0.68 KMT2A (0.41) LTA4HTSHRPIN1ADORA2ALMNA
Toluene SCHEMBL1726243 0.67 LMNA (0.50) TSHRLMNAMAPTKMT2AMEN1
SCHEMBL11778560 0.67 ADORA2A (0.50) LTA4HTSHRADORA2ALMNAHTT
SCHEMBL5359429 0.67 TDP1 (0.54) LTA4HTSHRPIN1LMNAHTT
SCHEMBL2370879 0.66 CYP1A2 (0.41) ALDH1A1
SCHEMBL1816352 0.65 LMNA (0.49) ADORA2ALMNAHTTMAPTKMT2A
SCHEMBL6921888 0.65 KMT2A (0.50) LTA4HTSHRPIN1LMNAHTT

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-5015732-A Copper monoazo dyes with triazine groups for reaction with cellulose or polyamide fibers HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0001614-A1 Water-soluble, fibre-reactive, green azo-phthalocyanine dyestuffs, their preparation and their application, as well as the phthalocyanine pyrazolone intermediates and their preparation CASSELLA Aktiengesellschaft (DE) 1979-05-02 EP disclosed