SCHEMBL6973284

SCHEMBL6973284

O=C1CCCCC1C(C[N+](=O)[O-])c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
ALDH1A1 P00352 5/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
F2RL1 P55085 1/20 0.31

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
SCHEMBL6979522 0.81 KMT2A (0.31) KMT2ACNR1
SCHEMBL809451 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL27204438 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL6979683 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL27165039 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL813507 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL27204437 0.73 CA1 (0.53) CA1ALDH1A1POLBCNR1KDM4E
SCHEMBL14292597 0.71 MAPT (0.49) CA1ALDH1A1POLBKMT2AKDM4E
SCHEMBL10491745 0.71 CA1 (0.43) CA1ALDH1A1POLBKMT2AKDM4E
SCHEMBL10491674 0.71 MAPT (0.49) CA1ALDH1A1POLBKMT2AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed