SCHEMBL9846141

SCHEMBL9846141

ClCc1nc2c(Cl)cccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 4/20 0.33
NOTUM Q6P988 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PSMB8 P28062 1/20 0.33
F2 P00734 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL22042880 0.80 PIK3CD (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2792576 0.80 ACHE (0.39) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL9680689 0.80 PIK3CD (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL11514781 0.80 PSMB8 (0.37) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL101890 0.78 MAPT (0.39) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL23932494 0.77 HRH4 (0.36) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL30041966 0.77 HRH4 (0.36) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10464540 0.77 RXRA (0.41) MAPTKDM4ENPC1RAB9ACYP3A4
SCHEMBL16674770 0.77 NR4A2 (0.37) MAPTALDH1A1KDM4ECYP3A4TSHR
SCHEMBL3954797 0.76 PSMB8 (0.37) MAPTALDH1A1KDM4ENPC1RAB9A

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed