SCHEMBL12465716

SCHEMBL12465716

CCN1CCC(S(=O)(=O)Nc2ccc(-c3onc(C)c3NC(=O)O)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABCB4 P21439 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
JAK1 P23458 2/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12465700 0.89 MAPT (0.48) MAPTKDM4ELPAR1LPAR3ABCC3
SCHEMBL12465914 0.86 MAPT (0.46) MAPTKDM4EMEN1KMT2ALPAR1
SCHEMBL27931687 0.82 SMN1; SMN2 (0.36) MAPTMEN1KMT2ASMYD3JAK1
SCHEMBL15451618 0.82 LPAR1 (0.59) MAPTKDM4ELPAR1LPAR3ABCC3
SCHEMBL12465689 0.79 MAPT (0.51) MAPTKDM4EMEN1KMT2ALPAR1
SCHEMBL12465889 0.77 MAPT (0.53) MAPTKDM4ELPAR1LPAR3ABCC3
SCHEMBL15437805 0.76 LPAR1 (0.37) LPAR1LPAR3UCHL1USP30
SCHEMBL12465676 0.75 POLB (0.48) MAPTKDM4ELPAR1LPAR3JAK1
SCHEMBL12466034 0.73 MAPT (0.55) MAPTKDM4EMEN1KMT2ALPAR1
SCHEMBL12465748 0.72 MAPT (0.54) MAPTKDM4EMEN1KMT2ALPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO disclosed