SCHEMBL7301506

SCHEMBL7301506

COC(=O)c1c(C#N)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.79
MAPT P10636 5/20 0.79
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C9 P11712 2/20 0.79
CYP2C19 P33261 2/20 0.79
TSHR P16473 1/20 0.79
NFKB1 P19838 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
HIF1A Q16665 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL7291651 0.96 ALDH1A1 (0.79) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL29766970 0.88 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1938827 0.88 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7291908 0.84 MAPT (0.82) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7293101 0.84 ALDH1A1 (0.82) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7290374 0.84 ALDH1A1 (0.82) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7291181 0.83 MAPT (0.80) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7293424 0.83 ALDH1A1 (0.84) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7299183 0.83 MAPT (0.84) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7291291 0.82 MAPT (0.79) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP claimed
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP disclosed