SCHEMBL8947775

SCHEMBL8947775

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1OCCOc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
PTGES O14684 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
RECQL P46063 2/20 0.43
AR P10275 1/20 0.43
BACE1 P56817 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8875982 0.87 RAB9A (0.55) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL1041077 0.83 PTGES (0.48) CTSVCTSLPTGESHTR1AADRA1D
SCHEMBL5421861 0.82 POLB (0.58) CTSVCTSLPTGESKMT2AMEN1
SCHEMBL29502844 0.82 POLB (0.58) CTSVCTSLPTGESKMT2AMEN1
SCHEMBL29503061 0.81 PTGES (0.61) CTSVCTSLPTGESKMT2AMEN1
SCHEMBL2022545 0.81 PTGES (0.61) CTSVCTSLPTGESKMT2AMEN1
SCHEMBL8947705 0.80 KMT2A (0.49) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL12530118 0.80 ALDH1A1 (0.54) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL29463874 0.78 PTGES (0.61) CTSVCTSLPTGESKMT2AMEN1
SCHEMBL519418 0.78 PTGES (0.61) CTSVCTSLPTGESKMT2AMEN1

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-5516911-A Fluorescent intracellular calcium indicators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-14 US disclosed