SCHEMBL14340959

SCHEMBL14340959

CC(C)(C)CCC(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ENPP2 Q13822 2/20 0.42

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
SCHEMBL391005 0.82 PARP1 (0.54) ALDH1A1KMT2AKDM4EHSD17B10CYP3A4
SCHEMBL388707 0.81 MAPT (0.49) ALDH1A1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL14340758 0.80 HSD17B10 (0.52) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL29265204 0.80 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ALMNA
SCHEMBL14340875 0.80 MAPT (0.55) ALDH1A1MAPTKMT2AKDM4EHSD17B10
SCHEMBL388870 0.79 PANK3 (0.53) ALDH1A1KMT2AKDM4EHSD17B10CYP3A4
SCHEMBL10168032 0.79 HSD17B10 (0.44) ALDH1A1KMT2AKDM4EHSD17B10CYP3A4
SCHEMBL14340860 0.77 KDM4E (0.70) ALDH1A1KMT2APOLBKDM4EHSD17B10
SCHEMBL391613 0.76 KDM4E (0.41) ALDH1A1KMT2AKDM4EHSD17B10CYP3A4
SCHEMBL391614 0.76 KDM4E (0.41) ALDH1A1KMT2AKDM4EHSD17B10CYP3A4

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
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed