SCHEMBL4437030

SCHEMBL4437030

O=C(OC(=O)c1cc(C=Cc2ccc(C(F)(F)F)cc2Cl)ccc1NC(=O)C1CC1)c1cc(C=Cc2ccc(F)cc2Cl)ccc1NC(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 7/20 0.40
KDR P35968 4/20 0.40
BRAF P15056 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL4437032 0.92 KMT2A (0.43) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL4437026 0.92 KMT2A (0.43) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL1826265 0.87 KMT2A (0.44) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL1826247 0.87 KMT2A (0.44) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL1824507 0.84 KMT2A (0.44) KMT2AMEN1
SCHEMBL1824506 0.84 KMT2A (0.44) KMT2AMEN1
SCHEMBL1827461 0.78 KMT2A (0.50) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL1827463 0.78 KMT2A (0.50) KMT2AMEN1TSHRRXFP1KDR
SCHEMBL1826584 0.77 MEN1 (0.46) KMT2AMEN1TSHRRXFP1LMNA
SCHEMBL1826585 0.77 MEN1 (0.46) KMT2AMEN1TSHRRXFP1LMNA

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-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed