SCHEMBL4079956

SCHEMBL4079956

NNC(=O)CCCc1cc2cc(C(=O)NN)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
GFER P55789 1/20 0.41
ITGB3 P05106 8/20 0.41
ITGA2B P08514 8/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL1663062 0.75 MTNR1A (0.44) MTNR1AKDM4EITGB3ITGA2BALDH1A1
SCHEMBL1663712 0.74 MTNR1A (0.48) MTNR1AKDM4EITGB3ITGA2BALDH1A1
SCHEMBL4076192 0.73 KDM4E (0.45) KDM4EPOLBPKMGFERALDH1A1
SCHEMBL1663190 0.73 MTNR1A (0.40) MTNR1AKDM4EITGB3ITGA2BSMN1; SMN2
SCHEMBL1663128 0.73 MTNR1A (0.56) MTNR1AKDM4EITGB3ITGA2BALDH1A1
SCHEMBL13369810 0.72 HRH3 (0.47) MTNR1AKDM4EALDH1A1PRMT1MTNR1B
SCHEMBL1663735 0.72 HRH3 (0.44) MTNR1AKDM4EPOLBPKMITGB3
SCHEMBL6152137 0.70 HRH3 (0.53) MTNR1AKDM4EALDH1A1MTNR1B
SCHEMBL14117470 0.70 MTNR1A (0.48) MTNR1AKDM4EPRMT1MTNR1BSIRT1
SCHEMBL4075137 0.69 MEN1 (0.43) MTNR1AKDM4EPOLBALDH1A1LMNA

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
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed