SCHEMBL10546277

SCHEMBL10546277

O=C1N[C@@H](/C=C/c2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AVPR1A P37288 1/20 0.37
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
ALDH3A1 P30838 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
SCHEMBL10546311 1.00 MAPT (0.37) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL10546302 1.00 MAPT (0.37) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL10546288 1.00 MAPT (0.37) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL9058608 0.75 ALDH1A1 (0.36) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL9058612 0.75 ALDH1A1 (0.36) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL9058607 0.75 ALDH1A1 (0.36) MAPTALDH1A1CHRM2OPRM1DDB1
SCHEMBL9530175 0.74 BCHE (0.42) MAPTALDH1A1AVPR1APOLBHPGD
SCHEMBL9530171 0.74 BCHE (0.42) MAPTALDH1A1AVPR1APOLBHPGD
SCHEMBL9338944 0.71 MAPT (0.42) MAPTALDH1A1POLBHPGDKDM4E
SCHEMBL9338951 0.71 MAPT (0.42) MAPTALDH1A1POLBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed