SCHEMBL18626328

SCHEMBL18626328

CCC(C)(C)c1ccncc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCH P24723 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LATS1 O95835 3/20 0.32
LATS2 Q9NRM7 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL22043381 0.85 PRKCH (0.33) PRKCHPRKCEPRKCQPRKCDTRPA1
SCHEMBL16477946 0.84 SIRT3 (0.36) PRKCHPRKCEPRKCQPRKCDCYP1A2
SCHEMBL18626327 0.84 PRKCH (0.34) PRKCHPRKCEPRKCQPRKCDTRPA1
SCHEMBL22282113 0.82 CYP1A2 (0.35) PRKCHPRKCEPRKCQPRKCDTRPA1
SCHEMBL13412862 0.80 ALOX5 (0.36) LATS1LATS2CA12CA1CA2
SCHEMBL682267 0.79 TRPA1 (0.37) PRKCHPRKCEPRKCQPRKCDTRPA1
SCHEMBL22140201 0.78 TP53 (0.34) CYP3A4LATS1LATS2CA12CA1
SCHEMBL17403402 0.78 CNR1 (0.35) LATS1LATS2CA12CA1CA2
SCHEMBL18626326 0.78 LOXL2 (0.41) PRKCHPRKCEPRKCQPRKCDLATS1
SCHEMBL22140281 0.78 PRKCH (0.32) PRKCHPRKCEPRKCQPRKCDTRPA1

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
US-9593095-B2 Methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-03-14 US disclosed