SCHEMBL4386448

SCHEMBL4386448

CCOC(=O)c1[nH]c(Br)c(CC#N)c1-c1ccc(-c2sccc2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.40
MAPT P10636 3/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
PRKCZ Q05513 1/20 0.37
RAB9A P51151 2/20 0.35
GAA P10253 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
SCHEMBL6065007 0.88 AR (0.37) ARMAPTPRKCZRAB9AGAA
SCHEMBL4374929 0.78 MAPT (0.39) ARMAPTPRKCZRAB9AGAA
SCHEMBL4370270 0.74 GRIA4 (0.44) ARMAPTPRKCZKDM4EALDH1A1
SCHEMBL4381278 0.72 AR (0.39) ARMAPTPRKCZRAB9AGAA
SCHEMBL13863268 0.71 AR (0.41) ARMAPTPRKCZKDM4EALDH1A1
SCHEMBL4370222 0.68 AR (0.39) ARMAPTPRKCZKDM4EALDH1A1
SCHEMBL24208929 0.68 MAPT (0.62) ARMAPTPRKCZRAB9AGAA
SCHEMBL6065003 0.67 PRKCZ (0.39) ARMAPTPRKCZRAB9AGAA
SCHEMBL4386445 0.67 GRIA4 (0.36) ARMAPTGAAKDM4EALDH1A1
SCHEMBL4369440 0.66 ALDH1A1 (0.43) MAPTGAAKDM4EALDH1A1FNTA

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-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed