SCHEMBL28363418

SCHEMBL28363418

O=Nc1ccc(NC=CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ TSHR P16473 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 8/20 0.39
▸ PKM P14618 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP2C9 P11712 2/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL13363566 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL8005268 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL234461 0.68 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL15178348 0.66 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL537959 0.66 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL12848579 0.66 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL28012826 0.66 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL28013507 0.66 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRTDP1CYP3A4
Hydrochloric Acid SCHEMBL28165224 0.64 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP3A4
SCHEMBL8778393 0.64 MAPT (0.63) ALDH1A1HSD17B10TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111073866-A PQQ-sGDH mutant, polynucleotide and application thereof in glucose detection 英科隆生物技术(杭州)有限公司 2020-04-28 — — CN disclosed
CN-105331591-B PQQ-sGDH mutant, polynucleotide and glucose detection device 英科隆生物技术(杭州)有限公司 2020-02-28 — — CN disclosed
CN-105331590-B Soluble pyrroloquinoline quinone dependent glucose dehydrogenase mutant with improved glucose specificity, polynucleotide and application thereof 英科隆生物技术(杭州)有限公司 2020-02-28 — — CN disclosed
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