SCHEMBL29048627

SCHEMBL29048627

CCCCCc1ccc(Nc2ccc(-c3ccnc(-c4ccc(OCC)cc4OCC)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
AGPAT2 O15120 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29048649 0.99 MAPT (0.44) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL29048621 0.97 MAPT (0.41) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL29048652 0.93 MAPT (0.38) MAPTL3MBTL1RAB9ARAF1BRAF
SCHEMBL21670597 0.90 MAPT (0.46) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL30525999 0.90 MAPT (0.46) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL29048674 0.90 CYP2D6 (0.43) MAPTL3MBTL1RAB9ABRAFSYK
SCHEMBL29048612 0.90 CYP2D6 (0.45) MAPTRAB9ABRAFSMN1; SMN2LMNA
SCHEMBL21670595 0.89 MAPT (0.46) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL30526010 0.89 MAPT (0.46) MAPTL3MBTL1RAB9ACASP3SENP8
SCHEMBL29048666 0.89 CYP2D6 (0.42) MAPTL3MBTL1ALDH1A1HPGDKDM4E

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