SCHEMBL3164100

SCHEMBL3164100

Cc1c(F)c(F)cc(N2CCN(C(=O)C3CCCc4sc(NC(=O)Cc5cc(F)cc(F)c5)nc43)CC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SLC27A1 Q6PCB7 6/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RORC P51449 2/20 0.35
DHODH Q02127 2/20 0.35
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ROCK2 O75116 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
NPY5R Q15761 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL3164089 0.79 POLB (0.47) LMNAMAPTALDH1A1
SCHEMBL3157384 0.79 CNR1 (0.40) LMNAMAPTALDH1A1
SCHEMBL3163673 0.78 KCNQ2 (0.44) LMNASLC27A1MAPTNPC1ALDH1A1
SCHEMBL3172485 0.77 LMNA (0.43) LMNAMAPTNPC1ALDH1A1TP53
SCHEMBL3164398 0.75 HRH3 (0.38) LMNASLC27A1MAPTALDH1A1THRB
SCHEMBL4797365 0.69 NPY5R (0.37) MAPTALDH1A1TP53NPY5R
SCHEMBL3162896 0.68 NPC1 (0.54) LMNASLC27A1MAPTNPC1ALDH1A1
SCHEMBL3163269 0.68 DRD2 (0.40) LMNASLC27A1MAPTNPC1ALDH1A1
SCHEMBL3172493 0.67 MAPT (0.43) LMNASLC27A1MAPTNPC1ALDH1A1
SCHEMBL3164126 0.66 KDM4E (0.46) LMNASLC27A1MAPTALDH1A1

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-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed