SCHEMBL8975323

SCHEMBL8975323

C[n+]1c2ccccc2c(C(=O)[O-])c2c(-c3ccccc3)cccc21.O=S(=O)(O)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.40
ACHE P22303 10/20 0.40
RAB9A P51151 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL8975331 0.87 ACHE (0.40) ACHERAB9ARCE1
SCHEMBL8975328 0.87 ACHE (0.40) ACHERAB9ARCE1
SCHEMBL8997328 0.83 ACHE (0.42) ACHE
Bromide SCHEMBL642758 0.81 ACHE (0.46) DHODHACHERAB9ARCE1
SCHEMBL6255899 0.78 MYC (0.40) DHODHACHE
SCHEMBL8439431 0.77
SCHEMBL3907426 0.74 MYC (0.41) ACHERAB9A
Trifluoromethanesulfonic Acid SCHEMBL8332149 0.74 ACHE (0.40) ACHE
SCHEMBL8495949 0.74 ACHE (0.50) ACHERAB9ARCE1
SCHEMBL31163696 0.74 ACHE (0.50) ACHERAB9ARCE1

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
EP-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP claimed