SCHEMBL29048618

SCHEMBL29048618

CCOc1ccc(-c2cc(-c3ccc(-c4c(C)cc(C)cc4C)cc3N)ccn2)c(OCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 5/20 0.35
ATM Q13315 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 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
SCHEMBL29048678 0.91 SMN1; SMN2 (0.36) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048660 0.88 PTPRC (0.41) MAPK1KDM4EKMT2AMEN1MAPT
SCHEMBL29048669 0.88 MAPT (0.39) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048681 0.87 KDM4E (0.41) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048636 0.84 DYRK1A (0.47) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048637 0.83 KDM4E (0.38) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048616 0.82 CYP2D6 (0.44) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048663 0.82 RAB9A (0.41) MAPK1KDM4ELMNASMN1; SMN2TP53
SCHEMBL29048625 0.81 MEN1 (0.36) TSHRMAPK1KDM4ELMNASMN1; SMN2
SCHEMBL29048654 0.81 GABRA1 (0.40) TSHRMAPK1KDM4ELMNASMN1; 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