SCHEMBL28224409

SCHEMBL28224409

Clc1nc(CCc2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PIN1 Q13526 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ APP P05067 4/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ METAP1 P53582 1/20 0.42
▸ CCR4 P51679 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL16404343 0.93 MAOA (0.50) L3MBTL1MEN1KMT2AMAPTAPP
SCHEMBL3975481 0.90 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTAPP
SCHEMBL9173175 0.82 ALDH1A1 (0.55) L3MBTL1MEN1KMT2AMAPTPDE4A
SCHEMBL4602308 0.81 MAPT (0.49) L3MBTL1MEN1KMT2AMAPTAPP
SCHEMBL92745 0.79 KMT2A (0.50) L3MBTL1MEN1KMT2AMAPTAPP
SCHEMBL7835433 0.79 PDE4A (0.49) L3MBTL1MEN1KMT2AMAPTPDE4A
SCHEMBL4603760 0.79 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTAPP
SCHEMBL790531 0.78 MAPT (0.47) L3MBTL1MAPTPDE4APDE4BPDE4C
SCHEMBL2261435 0.78 MAOA (0.52) L3MBTL1MEN1KMT2AMAPTRAB9A
SCHEMBL859288 0.78 ALDH1A1 (0.54) L3MBTL1MEN1KMT2AMAPTPDE4A

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-105503837-B Substituted quinazoline analog derivative and its application with Aurora kinase inhibitory activity 中山大学 2018-06-29 — — CN disclosed
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