SCHEMBL5013841

SCHEMBL5013841

C[CH]c1c(-c2ccccc2-c2ccccc2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
DNMT1 P26358 1/20 0.40
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MPI P34949 1/20 0.36
ERN1 O75460 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA12 O43570 3/20 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
SCHEMBL5010802 0.91 ALDH1A1 (0.41) TNFDNMT1PTGS2ALDH1A1TSHR
SCHEMBL5008784 0.83 DNMT1 (0.38) TNFDNMT1PTGS2ALDH1A1TSHR
SCHEMBL5010725 0.80 L3MBTL1 (0.37) TNFDNMT1PTGS2ALDH1A1TSHR
SCHEMBL5010129 0.74 L3MBTL1 (0.39) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL28364735 0.74 CA12 (0.49) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL29732781 0.73 TNF (0.52) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL623148 0.73 TNF (0.52) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL867854 0.73 TNF (0.52) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL29463735 0.73 TNF (0.52) TNFALDH1A1TSHRHSD17B10TDP1
SCHEMBL24871224 0.73 POLB (0.47) TNFDNMT1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed