SCHEMBL21730835

SCHEMBL21730835

Cc1cccc2c1-c1c(I)cccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
HPN P05981 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 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
SCHEMBL7938898 0.87 TSHR (0.43) TSHRALDH1A1KMT2ACYP3A4TDP1
SCHEMBL3395495 0.79 CYP2A6 (0.43) TDP2TSHRALDH1A1CYP3A4TDP1
SCHEMBL21730836 0.77 TDP2 (0.38) TDP2KMT2ATDP1MEN1GRIA1
SCHEMBL15771707 0.74 CYP1A2 (0.54) TDP2TSHRALDH1A1KMT2ACYP3A4
SCHEMBL10692031 0.74 KMT2A (0.57) TDP2TSHRALDH1A1KMT2ACYP3A4
SCHEMBL599052 0.72 MAOA (0.46) TSHRALDH1A1KMT2ATDP1MEN1
SCHEMBL21694436 0.72 TDP2 (0.47) TDP2TSHRALDH1A1KMT2ACYP3A4
SCHEMBL25506823 0.70 KMT2A (0.46) TDP2TSHRALDH1A1KMT2ACYP3A4
SCHEMBL22237885 0.70 SRC (0.36) TSHRALDH1A1CYP3A4TDP1GRIA1
SCHEMBL18938794 0.70 CYP1A2 (0.35) TSHRALDH1A1CYP3A4TDP1MAPT

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
WO-2020036459-A1 POLYMER, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed