SCHEMBL29048637

SCHEMBL29048637

CCOc1ccc(-c2cc(-c3ccc(-c4ccc(CC)cc4)cc3N)ccn2)c(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
DYRK1A Q13627 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CACNA2D1 P54289 1/20 0.34
NPC1 O15118 3/20 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
SCHEMBL29048681 0.93 KDM4E (0.41) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048654 0.92 GABRA1 (0.40) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048669 0.90 MAPT (0.39) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048636 0.90 DYRK1A (0.47) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048624 0.90 MAPT (0.40) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048630 0.89 MAPT (0.44) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048663 0.88 RAB9A (0.41) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048616 0.88 CYP2D6 (0.44) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048650 0.88 MAPT (0.43) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL29048684 0.87 MAPT (0.36) KDM4EMEN1KMT2AMAPTHSD17B10

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