SCHEMBL4748608

SCHEMBL4748608

Nc1cc(NC(=O)CCCN2CCCC2)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 1/20 0.60
TERT O14746 5/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49
CACNA1G O43497 2/20 0.48

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
SCHEMBL4748864 0.94 ALDH1A1 (0.68) LMNAALDH1A1POLBKMT2ATERT
SCHEMBL14041580 0.89 POLB (0.63) LMNAALDH1A1POLBKMT2ATERT
SCHEMBL14041496 0.87 KMT2A (0.60) LMNAALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4748462 0.86 ALDH1A1 (0.62) LMNAALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4749787 0.83 ALOX5 (0.57) LMNAALDH1A1POLBKMT2ATERT
SCHEMBL4750226 0.83 KMT2A (0.71) LMNAALDH1A1POLBKMT2ATERT
SCHEMBL8227510 0.82 ALDH1A1 (0.83) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL4749305 0.81 TERT (0.63) LMNAALDH1A1POLBKMT2ATERT
Water SCHEMBL7291985 0.81 ALDH1A1 (0.81) LMNAALDH1A1POLBKMT2ACYP2C19
SCHEMBL14041773 0.80 EPHX2 (0.59) LMNAALDH1A1POLBKMT2ATERT

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
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed