SCHEMBL1656244

SCHEMBL1656244

COc1cc(-c2cc(OC)c(N)cc2Cl)c(Cl)cc1N.COc1cc(-c2ccc(N)cc2)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ CYP3A4 P08684 4/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ GAA P10253 1/20 0.50
▸ CHEK1 O14757 7/20 0.48
▸ DYRK1A Q13627 1/20 0.42
▸ FYN P06241 2/20 0.42
▸ MAPK1 P28482 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL9317017 0.94 ALDH1A1 (0.69) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL28089956 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL649720 0.85 ALDH1A1 (0.83) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL139296 0.82 GAA (0.72) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29025949 0.81 GAA (0.46) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL10767812 0.81 GAA (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL5571835 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL16403637 0.79 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL21084582 0.79 DYRK1A (0.63) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29288585 0.79 ALDH1A1 (0.77) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 — — EP disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 — — EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 — — WO disclosed
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