SCHEMBL9181769

SCHEMBL9181769

N#CCc1c[nH]nc1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3825569 0.79 TSHR (0.30)
SCHEMBL9182082 0.79 TSHR (0.30)
SCHEMBL8721023 0.76 TDP1 (0.34)
SCHEMBL11202722 0.76 IDO1 (0.38)
SCHEMBL9185329 0.75 AKR1B1 (0.41) LMNAALDH1A1
SCHEMBL3825796 0.74 MEN1 (0.31)
SCHEMBL7455345 0.72 MEN1 (0.37)
SCHEMBL11200306 0.71 ALDH1A1 (0.45) ALDH1A1HPGD
SCHEMBL9180692 0.71 CYP1A2 (0.33)
SCHEMBL7454500 0.69 ALDH1A1 (0.32) ALDH1A1

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-0667868-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-23 EP disclosed