SCHEMBL18609687

SCHEMBL18609687

COc1ccc(Cl)cc1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ ALDH1A1 P00352 8/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MAPT P10636 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL18610120 0.87 HDAC1 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL14419498 0.83 MAPT (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18615438 0.82 KMT2A (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18609813 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL31293950 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL28212176 0.78 HTT (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2011023 0.78 MEN1 (1.00) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL10604241 0.77 MEN1 (0.80) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2386068 0.76 KMT2A (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4317042 0.76 KMT2A (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2

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
EP-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
WO-2017038871-A1 UREA DERIVATIVE AND USE THEREFOR 東レ株式会社 2017-03-09 — — WO disclosed
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