SCHEMBL14224433

SCHEMBL14224433

CCc1ccc(-c2ccc(C(=O)NCCN(O)C(=O)NCC3CCCN(C(N)=O)C3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.46
TPSAB1 Q15661 1/20 0.43
CHRM4 P08173 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 1/20 0.39
ATM Q13315 1/20 0.39
MCHR1 Q99705 3/20 0.38
CYP2D6 P10635 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
SCHEMBL401213 0.88 ACKR3 (0.49) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL4532358 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL13654295 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL403936 0.80 ACP1 (0.44)
SCHEMBL405132 0.78 CHRM4 (0.43) ALDH1A1KDM4EKMT2AMEN1CHRM4
SCHEMBL404206 0.77 MCHR1 (0.46) KMT2ACHRM4MCHR1CYP2D6
SCHEMBL5450870 0.76 HRH3 (0.41) ALDH1A1KMT2AMEN1CHRM4HRH3
SCHEMBL403564 0.75 HDAC4 (0.46)
SCHEMBL404709 0.75 MCHR1 (0.54) KMT2AMEN1CHRM4POLBHRH3
SCHEMBL1105547 0.75 SMN1; SMN2 (0.45) ALDH1A1KMT2ACHRM4HRH3DPP4

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed