SCHEMBL8842847

SCHEMBL8842847

CC(C)(Cc1ccncc1)NC=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
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 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
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL165251 0.81 LMNA (0.59) LMNACYP2D6ALDH1A1CYP3A4CYP2C9
SCHEMBL1720267 0.79 TAAR1 (0.39) LMNACYP2D6ALDH1A1HTT
SCHEMBL8824455 0.78 KDM4E (0.42) LMNACYP2D6ALDH1A1CYP3A4CYP2C9
SCHEMBL11969719 0.78 PYCR1 (0.38) LMNACYP2D6ALDH1A1CYP3A4CYP2C9
SCHEMBL8824450 0.78 SLC6A4 (0.50) LMNACYP2D6ALDH1A1CYP3A4CYP2C9
SCHEMBL8824562 0.75 CASR (0.46) RAB9AALDH1A1CYP3A4L3MBTL1HTT
SCHEMBL7562190 0.75 ALDH1A1 (0.46) FDPSRAB9ALMNACYP2D6ALDH1A1
SCHEMBL8842844 0.74 FDPS (0.41) FDPSRAB9ALMNACYP2D6ALDH1A1
SCHEMBL11084640 0.74 POLB (0.40) LMNACYP2D6ALDH1A1CYP3A4CYP2C9
SCHEMBL11164537 0.74 KMT2A (0.48) LMNAALDH1A1CYP3A4CYP2C9CYP2C19

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