SCHEMBL27344331

SCHEMBL27344331

NCc1cc(Br)ccc1NC(=O)OC(=O)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL28093556 0.71 L3MBTL1 (0.39) AAK1HPGDKMT2AHTTSMN1; SMN2
SCHEMBL28084468 0.69 KDR (0.46) HPGDATMALDH1A1
SCHEMBL27309325 0.69 AAK1 (0.42) AAK1MAPK1RAB9AKMT2AMEN1
SCHEMBL27319670 0.69 KDM4E (0.47) AAK1MAPK1KMT2AMEN1NPC1
SCHEMBL31259141 0.68 AOC1 (0.47) AAK1MAPK1RAB9AKMT2AMEN1
SCHEMBL28263497 0.68 GAA (0.53) MAPK1HPGDRAB9AKMT2AMEN1
SCHEMBL27481406 0.68 MAPK1 (0.38) AAK1MAPK1RAB9AKMT2AMEN1
SCHEMBL27671458 0.68 MAPK1 (0.39) AAK1MAPK1HPGDKMT2AMEN1
SCHEMBL28083985 0.67 MAPT (0.61) MAPK1HPGDKMT2AMEN1ALDH1A1
SCHEMBL27483646 0.67 POLB (0.53) MAPK1HPGDKMT2AMEN1ALDH1A1

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
CN-1029958-C Malonic acid derivative applied to hold back plant growth UNION CARBIDE AGRICULT (US) 1995-10-11 — — CN disclosed
CN-87103683-A Use of malonic acid derivatives for retarding plant growth — 1988-05-11 — — CN disclosed
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