SCHEMBL8842844

SCHEMBL8842844

CC(C)(Cc1ccncc1)N[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTPRB P23467 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
TSHR P16473 1/20 0.34
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5255109 0.81 LMNA (0.59) LMNACYP2D6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8842847 0.74 FDPS (0.41) FDPSRAB9ALMNACYP2D6GAA
SCHEMBL1932047 0.73 RAB9A (0.49) FDPSRAB9ALMNACYP2D6GAA
SCHEMBL6501640 0.73 ACACB (0.49) FDPSRAB9AGAAALDH1A1HTT
SCHEMBL73475 0.71 ESR1 (0.52) FDPSRAB9ALMNACYP2D6ALDH1A1
SCHEMBL5258390 0.70 FDPS (0.41) FDPSRAB9ALMNACYP2D6ALDH1A1
SCHEMBL27561204 0.69 RAB9A (0.49) FDPSRAB9ALMNACYP2D6GAA
SCHEMBL3242672 0.69 RAB9A (0.45) FDPSRAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL25343200 0.68 ALDH1A1 (0.41) FDPSRAB9ALMNAGAAALDH1A1
SCHEMBL27540464 0.68 CYP17A1 (0.53) FDPSRAB9AALDH1A1PTPRBLATS1

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-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 US disclosed