SCHEMBL5846158

SCHEMBL5846158

NC1=CC=C(c2ccc(N)cc2)CC1(Cl)Cl.Nc1cc(Br)ccc1Br

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL844893 0.83 CYP3A4 (0.37) ALDH1A1APP
SCHEMBL28757121 0.81 CYP3A4 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL7556367 0.81 CYP3A4 (0.36) ALDH1A1
Methane SCHEMBL27873846 0.81 CYP3A4 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL28449243 0.80 CYP3A4 (0.34) ALDH1A1
Benzidine SCHEMBL28067578 0.80 CYP3A4 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL18986246 0.80 CYP3A4 (0.34) ALDH1A1
1,4-Dichlorobenzene SCHEMBL3910732 0.77 MAOB (0.36) ALDH1A1
SCHEMBL4613513 0.70 CYP3A4 (0.37) ALDH1A1ALOX15MAPK1APP
SCHEMBL30516537 0.67

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-7026439-B2 Process for continuous production of polyarylene sulfide PETROLEUM ENERGY CENTER (JP) 2006-04-11 US disclosed
US-20040097697-A1 Process for continuous production of polyarylene sulfide IDEMITSU KOSAN CO. LTD. (JP) 2004-05-20 US disclosed