SCHEMBL31424217

SCHEMBL31424217

Oc1cccc2ccc(Cl)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.64
NCF1 P14598 1/20 0.64
METAP2 P50579 2/20 0.59
ALOX12 P18054 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 5/20 0.53
SOS2 Q07890 1/20 0.53
TSHR P16473 2/20 0.52
MMP2 P08253 1/20 0.52
CHRM1 P11229 1/20 0.52
COMT P21964 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL437684 1.00 PLAU (0.64) PLAUNCF1METAP2ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL1946689 0.98 PLAU (0.62) PLAUNCF1METAP2ALOX12ALDH1A1
Sulfuric Acid SCHEMBL7561856 0.91 KDM4E (0.59) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL14337175 0.86 PLAU (0.48) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL361523 0.78 NCF1 (1.00) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL29683992 0.77 SLC40A1 (0.45) PLAUNCF1ALDH1A1CYP1A2CYP3A4
SCHEMBL21767732 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL30082244 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1
SCHEMBL845037 0.77 SLC40A1 (0.45) PLAUNCF1ALDH1A1CYP1A2CYP3A4
SCHEMBL672744 0.77 METAP2 (0.63) PLAUNCF1METAP2ALOX12ALDH1A1

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
CN-119431238-A Aluminum ion detection reagent and preparation method and application thereof 河南省氟基新材料科技有限公司 2025-02-14 CN claimed
CN-119431238-A Aluminum ion detection reagent and preparation method and application thereof 河南省氟基新材料科技有限公司 2025-02-14 CN disclosed