SCHEMBL10140569

SCHEMBL10140569

CCC(=O)C(c1ccc(Cl)nc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
DGAT1 O75907 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 2/20 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
SCHEMBL13188511 0.83 P2RX7 (0.36) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL753852 0.83 NAPRT (0.44) POLBPKMMAPTALDH1A1AKR1C3
SCHEMBL890206 0.83 ALDH1A1 (0.41) POLBPKMMAPTALDH1A1AKR1C3
SCHEMBL13748210 0.81 NAPRT (0.40) POLBPKMALDH1A1AKR1C3AKR1C2
SCHEMBL888840 0.80 SMN1; SMN2 (0.40) POLBPKMMAPTALDH1A1AKR1C3
SCHEMBL8916606 0.79 AOC3 (0.42) ALDH1A1LMNACYP3A4CYP2D6SLC6A4
SCHEMBL15370353 0.79 ALDH1A1 (0.38) POLBPKMMAPTALDH1A1AKR1C3
SCHEMBL8916540 0.74 SMN1; SMN2 (0.47) PKMALDH1A1KMT2ALMNACYP3A4
SCHEMBL8917155 0.72 SMN1; SMN2 (0.38) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL1554283 0.72 MAPT (0.39) MAPTALDH1A1AKR1C3AKR1C2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed