SCHEMBL29048664

SCHEMBL29048664

CCOc1ccc(-c2cc(-c3ccc(Nc4ccc(C)cc4)cc3)ccn2)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.39
GRM5 P41594 1/20 0.39
SYK P43405 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CACNA2D1 P54289 1/20 0.38
MAPT P10636 3/20 0.38
ALOX5 P09917 1/20 0.38
MAPK10 P53779 1/20 0.38
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
AURKA O14965 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 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
SCHEMBL29048679 0.94 SYK (0.43) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048632 0.91 MAPT (0.43) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048609 0.91 KDM4E (0.45) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048634 0.90 MAPKAPK2 (0.42) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048676 0.90 MAPT (0.41) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048615 0.89 RAPGEF4 (0.38) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048661 0.89 MAPT (0.40) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL29048612 0.89 CYP2D6 (0.45) SYKTP53LMNASMN1; SMN2KDM4E
SCHEMBL21670537 0.88 LMNA (0.44) AGPAT2GRM5TP53LMNASMN1; SMN2
SCHEMBL30525968 0.88 LMNA (0.44) AGPAT2GRM5TP53LMNASMN1; SMN2

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