SCHEMBL8829958

SCHEMBL8829958

NCCNCC(CNCCN)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CHRM2 P08172 1/20 0.49
IDO1 P14902 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
KCNH2 Q12809 1/20 0.40
MC4R P32245 1/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MMP2 P08253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KAT2B Q92831 1/20 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
SCHEMBL28541344 0.94 LOXL2 (0.47) LOXL2CHRM2IDO1CA1CA2
SCHEMBL17848993 0.88 LOXL2 (0.44) LOXL2CHRM2IDO1CA1CA2
SCHEMBL4092879 0.87 LOXL2 (0.49) LOXL2CHRM2IDO1CA1CA2
SCHEMBL6523856 0.87 LOXL2 (0.49) LOXL2CHRM2IDO1CA1CA2
SCHEMBL4104161 0.87 LOXL2 (0.49) LOXL2CHRM2IDO1CA1CA2
Hydrochloric Acid SCHEMBL2511528 0.85 LOXL2 (0.47) LOXL2CHRM2IDO1CA1CA2
Hydrochloric Acid SCHEMBL2511527 0.85 LOXL2 (0.47) LOXL2CHRM2IDO1CA1CA2
SCHEMBL5099679 0.85 LOXL2 (0.47) LOXL2CHRM2IDO1LMNAMC4R
Hydrochloric Acid SCHEMBL5096882 0.84 LOXL2 (0.46) LOXL2CHRM2IDO1LMNAMC4R
SCHEMBL12793699 0.81 CHRM2 (0.49) LOXL2CHRM2IDO1CA1CA2

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
US-5650134-A Peptides NOVARTIS AG (FORMERLY SANDOZ LTD.) (CH) 1997-07-22 US disclosed
EP-0607103-A2 Somatostatin analogs containing chelating groups and their radiolabeled compositions SANDOZ LTD. (CH) 1994-07-20 EP disclosed