SCHEMBL31069486

SCHEMBL31069486

COc1c(N)cc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL20523636 1.00 GAA (0.41) GAANPC1ALDH1A1KDM4EPOLB
SCHEMBL442742 0.84 ALDH1A1 (0.44) GAAALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL17000445 0.78 CYP3A4 (0.44) GAANPC1ALDH1A1KDM4ETUBB4A
SCHEMBL30261672 0.78 GAA (0.43) GAANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL6079187 0.78 GAA (0.43) GAANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL5946205 0.78 HSD17B10 (0.50) ALDH1A1POLBL3MBTL1HSD17B10APP
SCHEMBL28097249 0.77 GAA (0.42) GAANPC1ALDH1A1KDM4ETUBB4A
SCHEMBL30874274 0.77 POLB (0.48) GAAALDH1A1POLBL3MBTL1TUBB4A
SCHEMBL20523468 0.77 POLB (0.48) GAAALDH1A1POLBL3MBTL1TUBB4A
SCHEMBL931631 0.77 POLB (0.44) GAAALDH1A1KDM4EPOLBL3MBTL1

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-118546107-A 2-Thiazole aminophenol derivatives and application thereof 中国药科大学 2024-08-27 CN disclosed