SCHEMBL7756006

SCHEMBL7756006

CCCc1ccn([N+](=O)[O-])n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP19A1 P11511 1/20 0.31
HDAC1 Q13547 1/20 0.30

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
SCHEMBL7759714 0.71
SCHEMBL294282 0.69
SCHEMBL21945129 0.67 KCNH2 (0.37) SMN1; SMN2MAPTALDH1A1KMT2APOLB
SCHEMBL173628 0.67 F2 (0.46) PKMHTTSMN1; SMN2NOS1NOS2
SCHEMBL18463797 0.67
SCHEMBL17771957 0.64 CYP19A1 (0.37) KDM5AKDM4CKDM5BCYP19A1
SCHEMBL20462578 0.64 CYP4F2 (0.43) KDM5AKDM4CKDM5BCYP19A1
SCHEMBL221953 0.63 AKR1C3 (0.38) SMN1; SMN2NOS1NOS2KDM4E
SCHEMBL28471636 0.63 NOS1 (0.33) HTTNOS1NOS2
SCHEMBL2230637 0.62 PKM (0.49) PKMHTTSMN1; SMN2MAPTMEN1

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
EP-1090060-A1 MODIFIED POLYCONDENSATES OF ASPARAGINIC ACID, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN FERTILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-11 EP disclosed
WO-1999058594-A1 MODIFIED POLYCONDENSATES OF ASPARAGINIC ACID, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE IN FERTILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-11-18 WO disclosed