SCHEMBL29201258

SCHEMBL29201258

C=C(C)C(=O)OCCN(C(=O)O)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 3/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
PPARA Q07869 1/20 0.37
MYC P01106 1/20 0.36

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
SCHEMBL13378764 0.88 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL2982149 0.88 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL1326466 0.88 HTT (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1TDP1
SCHEMBL15357901 0.85 RAB9A (0.41) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8857304 0.82 TDP1 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1TDP1
SCHEMBL10119169 0.79 MYC (0.40) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL14603427 0.79 PPARA (0.50) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6924950 0.79 HTT (0.41) MAPTSMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL14597121 0.78 MAPK1 (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL14505212 0.78 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1HPGD

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-114681324-B Double-release dosage form capsule and preparation method, device and system thereof 盖尔凯普科技有限公司 2024-05-03 CN disclosed