SCHEMBL9760357

SCHEMBL9760357

CCOC(=O)C(C#N)=C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHODH Q02127 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL11256576 0.94 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL11256579 0.94 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL25883387 0.88 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL9279794 0.88 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL10271717 0.87 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL9280109 0.87 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL9276683 0.85 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL9276687 0.85 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL25883431 0.85 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL2369011 0.85 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1PKM

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
US-5021591-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-06-04 US disclosed
US-4997940-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-03-05 US disclosed
US-4992091-A Herbicides THE DOW CHEMICAL COMPANY (US) 1991-02-12 US disclosed