SCHEMBL31019604

SCHEMBL31019604

NNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.66
RAB9A P51151 9/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
ALDH1A1 P00352 3/20 0.66
NFKB1 P19838 3/20 0.66
NFKB2 Q00653 3/20 0.66
RELA Q04206 3/20 0.66
PKM P14618 2/20 0.66
MAPT P10636 2/20 0.66
PTGS2 P35354 1/20 0.64
CASP3 P42574 4/20 0.63
SENP7 Q9BQF6 4/20 0.63
MAPK1 P28482 1/20 0.62
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TP53 P04637 2/20 0.59
HPGD P15428 2/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL133893 1.00 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL6581336 0.89 KDM4E (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL18101256 0.85 KDM4E (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL18101216 0.85 KDM4E (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL18101260 0.85 KDM4E (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL18101254 0.85 KDM4E (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL18359200 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL9585897 0.82 RAB9A (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL21165315 0.82 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL5192592 0.82 KMT2A (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977832-A Benzoyl hydrazine antineoplastic compound and preparation method and application thereof 江苏海洋大学 2025-05-13 CN claimed
CN-118619846-A Application of allylation reagent and preparation method of high-added-value allyl hydrazone 中国科学院山西煤炭化学研究所 2024-09-10 CN claimed
CN-119977832-A Benzoyl hydrazine antineoplastic compound and preparation method and application thereof 江苏海洋大学 2025-05-13 CN disclosed
CN-118619846-A Application of allylation reagent and preparation method of high-added-value allyl hydrazone 中国科学院山西煤炭化学研究所 2024-09-10 CN disclosed