SCHEMBL4748864

SCHEMBL4748864

Nc1cc(NC(=O)CCN2CCCC2)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
LMNA P02545 2/20 0.68
KMT2A Q03164 2/20 0.68
POLB P06746 1/20 0.68
CYP2C19 P33261 1/20 0.55
PKM P14618 1/20 0.55
TERT O14746 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL4748608 0.94 LMNA (0.60) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL4748462 0.89 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBSMN1; SMN2
SCHEMBL4750226 0.88 KMT2A (0.71) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL14041580 0.83 POLB (0.63) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL14041588 0.82 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL4749308 0.82 LMNA (0.62) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL3012622 0.82 ALDH1A1 (1.00) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL4750076 0.81 TERT (0.72) ALDH1A1LMNAKMT2APOLBTERT
SCHEMBL14041496 0.81 KMT2A (0.60) ALDH1A1LMNAKMT2APOLBCYP2C19
SCHEMBL13591902 0.80 TERT (0.71) ALDH1A1LMNAKMT2APOLBTERT

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