SCHEMBL9871738

SCHEMBL9871738

CC(C)=C1C(C)=C(C)C(=O)N1c1ccc(C)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
BCL2 P10415 1/20 0.38
ALOX12 P18054 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
SCHEMBL9876149 0.85 MAPT (0.60) MAPTHPGDPOLBGAARECQL
SCHEMBL11611638 0.75 MAPT (0.64) MAPTHPGDPOLBGAARECQL
SCHEMBL11455608 0.73 BCL2A1 (0.60) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL8005849 0.72 PKM (0.58) MAPTHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL30198527 0.72 PKM (0.58) MAPTHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL12173010 0.71 MEN1 (0.72) MAPTHPGDALDH1A1SMN1; SMN2PKM
SCHEMBL24939851 0.69 MYC (0.62) MAPTPOLBALDH1A1SMN1; SMN2PKM
SCHEMBL9624054 0.68 L3MBTL1 (0.55) MAPTHPGDPOLBGAARECQL
SCHEMBL3192339 0.66 L3MBTL1 (0.70) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3196821 0.66 L3MBTL1 (0.70) POLBALDH1A1KMT2AMEN1L3MBTL1

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
US-5045108-A Herbicidal and plant growth-regulating N-aryl-pyrrol-L-one and isoindol-2-one compounds BAYER AKTIENGESELLSCHAFT (DE) 1991-09-03 US disclosed
EP-0403891-A1 N-Aryl-nitrogen-heterocyclic compounds BAYER AG (DE) 1990-12-27 EP disclosed