SCHEMBL9684264

SCHEMBL9684264

Cc1cc(C(C)(C)C)cc(C(C)C)c1N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
GFER P55789 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
SCHEMBL8845408 0.89 POLB (0.50) POLBGAA
SCHEMBL6861064 0.88 POLB (0.45) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL15957594 0.82 POLB (0.43) POLBCYP3A4TSHRGAA
SCHEMBL21603329 0.82 POLB (0.39) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL29824831 0.82 POLB (0.39) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL6861296 0.81 POLB (0.39) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL2231480 0.79 POLB (0.94) POLBHTR1DHTR1BALDH1A1TP53
SCHEMBL11022582 0.78 ESR1 (0.39) POLBALDH1A1CYP3A4
SCHEMBL23396477 0.78 POLB (0.43) POLBHTR1DALDH1A1GAAGFER
SCHEMBL9683783 0.77 POLB (0.39) POLB

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-0492473-A1 Process for the preparation of 4-substituted 2,6-dialkylanilines LONZA AG (CH) 1992-07-01 EP disclosed