SCHEMBL29048646

SCHEMBL29048646

CCc1cc(Cl)ccc1-c1cc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc(-c2ccc(Cl)cc2CC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
DPP4 P27487 3/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SHMT1 P34896 1/20 0.34
SHMT2 P34897 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL30525983 0.86 AGPAT2 (0.45) DHODHKDM4ELMNAHPGDSHMT1
SCHEMBL21670506 0.81 AGPAT2 (0.43) KDM4ESMN1; SMN2ADORA3MAPTALOX12
SCHEMBL29048614 0.79 MGAM (0.49) DHODHKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL30526039 0.77 RAPGEF4 (0.41)
SCHEMBL21670565 0.73 NPSR1 (0.43) KDM4EALDH1A1ADORA3MEN1KMT2A
SCHEMBL29048688 0.73 PIK3CG (0.40) FFAR1FFAR4SHMT1CNR1PSEN1
SCHEMBL29048689 0.72 MAP4K4 (0.40) DPP4FFAR1FFAR4SMN1; SMN2SHMT1
SCHEMBL26306350 0.72 NPSR1 (0.44) KDM4ELMNAALDH1A1MAPTNPSR1
SCHEMBL21670593 0.72 ENPP3 (0.40) SMN1; SMN2ADORA3KMT2AMAPTALOX12
SCHEMBL30525996 0.72 ENPP3 (0.40) SMN1; SMN2ADORA3KMT2AMAPTALOX12

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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed