SCHEMBL8739504

SCHEMBL8739504

CCN1CCCN(C(=O)c2nc(C)c(-c3csc(Nc4cc(C(=O)NC)ccc4OC(C)C)n3)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
MEN1 O00255 14/20 0.41
MAPT P10636 14/20 0.41
KMT2A Q03164 14/20 0.41
ALDH1A1 P00352 12/20 0.41
KDM4E B2RXH2 10/20 0.41
HTT P42858 7/20 0.41
GAA P10253 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 7/20 0.40
HPGD P15428 6/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CFTR P13569 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALB P02768 1/20 0.38
CYP1A2 P05177 2/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8737783 0.92 TRPV4 (0.42) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8737775 0.89 TRPV4 (0.44) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL6126785 0.84 MAPT (0.46) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8737713 0.83 TRPV4 (0.44) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8738410 0.82 TRPV4 (0.43) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8737795 0.81 TRPV4 (0.46) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8738342 0.81 MAPT (0.48) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8738809 0.81 TRPV4 (0.45) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8738328 0.79 TRPV4 (0.43) TRPV4MEN1MAPTKMT2AALDH1A1
SCHEMBL8737969 0.79 TRPV4 (0.43) TRPV4MEN1MAPTKMT2AALDH1A1

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
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed