SCHEMBL5579860

SCHEMBL5579860

CCc1cccc(CNC[C@@H](OC(=O)c2[nH]c3ccc(F)cc3c2NC(C)=O)[C@@H](N)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 8/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BACE1 P56817 10/20 0.39
CTSB P07858 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
CTSD P07339 3/20 0.37
LMNA P02545 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
SCHEMBL5579861 1.00 KMT2A (0.40) KMT2AKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL6185848 1.00 KMT2A (0.40) KMT2AKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL3353140 0.81 BACE1 (0.54) BACE1CTSBCTSD
SCHEMBL3353134 0.81 BACE1 (0.54) BACE1CTSBCTSD
SCHEMBL5130395 0.79 BACE1 (0.43) KMT2AMEN1BACE1CTSBCTSD
SCHEMBL5130398 0.79 BACE1 (0.43) KMT2AMEN1BACE1CTSBCTSD
SCHEMBL5130674 0.78 SRC (0.43) BACE1CTSBCTSD
SCHEMBL5130679 0.78 SRC (0.43) BACE1CTSBCTSD
SCHEMBL5130673 0.78 BACE1 (0.42) KMT2ASMN1; SMN2MEN1MAPTBACE1
SCHEMBL5130678 0.78 BACE1 (0.42) KMT2ASMN1; SMN2MEN1MAPTBACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 US claimed