SCHEMBL15723573

SCHEMBL15723573

NOC(=O)c1ccc(-c2nc3cc(N)c(O)cc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TP53 P04637 1/20 0.55
▸ NPC1 O15118 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ SNCA P37840 1/20 0.48
▸ ESR1 P03372 4/20 0.47
▸ ESR2 Q92731 4/20 0.47
▸ HDAC6 Q9UBN7 7/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44

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
SCHEMBL17024443 0.89 MAPT (0.70) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL4307744 0.86 MAPT (0.51) MAPTRAB9ASMN1; SMN2TP53NPC1
Ammonia Solution, Strong SCHEMBL17024437 0.85 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL13347357 0.82 MAPT (0.59) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL14030787 0.81 MAPT (0.51) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL14030790 0.79 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53SNCA
SCHEMBL14431305 0.79 NPC1 (0.62) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL13496378 0.79 MAPT (0.55) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL14030845 0.77 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53NPC1
SCHEMBL14030833 0.75 HDAC6 (0.48) MAPTRAB9ASMN1; SMN2TP53NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725424-B2 4-(5-amino-6-hydroxybenzoxazol-2-yl) ammonium benzoate and preparation method and use thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2017-08-08 — — US disclosed
WO-2014075403-A1 4-(5-AMINO-6-HYDROXYBENZOXAZOL-2-YL)AMMONIUM BENZOATE AND PREPARATION METHOD AND USE THEREOF 浙江工业大学 (CN) 2014-05-22 — — WO disclosed
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