SCHEMBL31361416

SCHEMBL31361416

COc1cc(Cc2c(C)[nH]c3c(N4CCCCC4)c(-c4ccccc4)nn3c2=O)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 7/20 0.41
▸ TUBB P07437 7/20 0.41
▸ TUBA3C P0DPH7 7/20 0.41
▸ TUBA1B P68363 7/20 0.41
▸ TUBA4A P68366 7/20 0.41
▸ TUBB4B P68371 7/20 0.41
▸ TUBB3 Q13509 7/20 0.41
▸ TUBB2A Q13885 7/20 0.41
▸ TUBB8 Q3ZCM7 7/20 0.41
▸ TUBA3E Q6PEY2 7/20 0.41
▸ TUBA1A Q71U36 7/20 0.41
▸ TUBA1C Q9BQE3 7/20 0.41
▸ TUBB6 Q9BUF5 7/20 0.41
▸ TUBB2B Q9BVA1 7/20 0.41
▸ TUBB1 Q9H4B7 7/20 0.41
▸ MDM4 O15151 2/20 0.40
▸ MDM2 Q00987 2/20 0.40
▸ MAT2A P31153 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL31361364 0.91 KMT2A (0.40) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361455 0.89 KMT2A (0.40) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361380 0.88 NPSR1 (0.43) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361366 0.88 KMT2A (0.38) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361399 0.87 RNASEH1 (0.40) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361426 0.87 MAT2A (0.41) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361311 0.87 HTT (0.39) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361465 0.87 NR3C1 (0.38) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361321 0.87 MAT2A (0.41) MAT2AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL31361266 0.87 MEN1 (0.48) MAT2AMEN1KMT2AHTTSMN1; 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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 — — CN disclosed
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