SCHEMBL5579615

SCHEMBL5579615

CCc1cccc(CNC[C@@H](OC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H](N)Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CNR2 P34972 1/20 0.42
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL5579626 1.00 FLT3 (0.46) FLT3RXFP1TP53MAPTLMNA
SCHEMBL6698958 0.84 BACE1 (0.51) FLT3RXFP1MEN1KMT2ARAB9A
SCHEMBL5128063 0.80 MAPT (0.42) FLT3RXFP1TP53MAPTLMNA
SCHEMBL5130125 0.80 FLT3 (0.47) FLT3RXFP1TP53MAPTLMNA
SCHEMBL5126861 0.79 BACE1 (0.38) RXFP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5124329 0.78 HTT (0.44) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL5124337 0.78 HTT (0.44) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL5579577 0.78 KDM4E (0.41) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL5579585 0.78 KDM4E (0.41) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL5128065 0.77 FLT3 (0.40) FLT3RXFP1TP53MAPTLMNA

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