SCHEMBL29048624

SCHEMBL29048624

CCCCc1ccc(-c2ccc(-c3ccnc(-c4ccc(OCC)cc4OCC)c3)c(N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
GCGR P47871 1/20 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
SCHEMBL29048630 0.97 MAPT (0.44) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048650 0.96 MAPT (0.43) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048654 0.94 GABRA1 (0.40) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048616 0.91 CYP2D6 (0.44) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048637 0.90 KDM4E (0.38) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048681 0.90 KDM4E (0.41) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048675 0.89 CYP2D6 (0.42) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048667 0.88 CYP2D6 (0.41) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048621 0.87 MAPT (0.41) MAPTRAB9AL3MBTL1KDM4EHPGD
SCHEMBL29048669 0.86 MAPT (0.39) MAPTRAB9AL3MBTL1KDM4EHPGD

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