SCHEMBL7686731

SCHEMBL7686731

O=C(O)C(CCc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 3/20 0.48
CXCR2 P25025 1/20 0.48
PTPRF P10586 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL7686728 0.78 HPGD (0.62) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL3097653 0.76 TSHR (0.61) MEN1KMT2AMAPTALDH1A1ANPEP
SCHEMBL8474950 0.76 NOS2 (0.50) HPGDMEN1KMT2AMAPTALDH1A1
SCHEMBL224794 0.76 ALOX12 (1.00) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL9479463 0.76 ALOX12 (1.00) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL6810144 0.76 KMT2A (0.52) MEN1KMT2AMAPTPTPRFPTPN2
SCHEMBL6810226 0.76 KMT2A (0.52) MEN1KMT2AMAPTPTPRFPTPN2
SCHEMBL7429456 0.76 NPC1 (0.53) MEN1KMT2AMAPTALDH1A1ANPEP
SCHEMBL4659127 0.75 CNR1 (0.73) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL4627177 0.75 KMT2A (0.68) HPGDALOX12L3MBTL1MEN1KMT2A

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
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 US disclosed