SCHEMBL7262125

SCHEMBL7262125

O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)OCO4)ncc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
PDE5A O76074 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 5/20 0.52
POLB P06746 3/20 0.52
MEN1 O00255 4/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.46
ALOX12 P18054 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
SCHEMBL7262122 0.83 MAPT (0.41) MAPTPDE5AKMT2APOLBMEN1
SCHEMBL9921503 0.78 PDE5A (0.69) MAPTPDE5ASMN1; SMN2KMT2AMEN1
SCHEMBL1747920 0.77 MAOA (0.54) MAPTSMN1; SMN2ALDH1A1
SCHEMBL7420304 0.76 PDE5A (0.68) MAPTPDE5ASMN1; SMN2KMT2APOLB
SCHEMBL8827458 0.74 KMT2A (0.44) MAPTPDE5ASMN1; SMN2KMT2AMEN1
SCHEMBL1040562 0.74 MAPT (0.76) MAPTPDE5ASMN1; SMN2KMT2APOLB
SCHEMBL8827465 0.73 SMN1; SMN2 (0.44) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL20445842 0.73 IDO1 (0.50) MAPTPDE5AKMT2APOLBMEN1
SCHEMBL8827512 0.72 MAPT (0.45) MAPTPDE5ASMN1; SMN2KMT2APOLB
SCHEMBL7010631 0.72 MAPT (0.85) MAPTPDE5ASMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027057-A4 TREATMENT OF FEMALE SEXUAL DYSFUNCTION VIVUS INC (US) 2003-01-02 EP disclosed
EP-1027057-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION Asivi, LLC (US) 2000-08-16 EP disclosed
WO-1999021562-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION ASIVI, LLC (US) 1999-05-06 WO disclosed