SCHEMBL7262122

SCHEMBL7262122

O=[N+]([O-])c1ccc2nc(NCc3ccc4c(c3)OOC4)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ACHE P22303 2/20 0.38
PDE5A O76074 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPG P10696 1/20 0.35
PIN1 Q13526 2/20 0.35
RPS6KB1 P23443 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL7262125 0.83 MAPT (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8620057 0.73 PDE5A (0.71) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8827458 0.73 KMT2A (0.44) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL5598718 0.71 PDE4A (0.57) PDE5ATDP1PIN1
SCHEMBL20445842 0.71 IDO1 (0.50) MAPTKMT2AMEN1PDE5APOLB
SCHEMBL8827512 0.71 MAPT (0.45) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8827465 0.70 SMN1; SMN2 (0.44) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL27456953 0.67 CYP1A2 (0.42) MAPTKMT2APOLBALDH1A1GAA
SCHEMBL5743821 0.66 GSK3B (0.56) MAPTKMT2AMEN1ACHEPOLB
SCHEMBL27920418 0.65 ALDH1A1 (0.46) MAPTPOLBALDH1A1NPC1RAB9A

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