SCHEMBL11069571

SCHEMBL11069571

[NH]C(=O)c1cc(O)c2ncccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
CASP6 P55212 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
COMT P21964 2/20 0.41
MMP2 P08253 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA1A P35348 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL11069574 0.84 KDM4E (0.46) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL5257685 0.75 KDM4E (0.50) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL6636369 0.73 PRMT5 (0.50) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL30625771 0.73 MMP2 (0.46) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL28008057 0.73 METAP2 (0.46) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL28552136 0.70 MAPT (0.57) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL28182820 0.69 PRMT5 (0.42) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL28579187 0.69 PRMT5 (0.42) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL30620972 0.69 PRMT5 (0.42) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL3499713 0.66 TOP1 (0.53) KDM4ENPC1RAB9AMAPTHTT

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
US-4353824-A DETECTORS OF BETA-LACTAMASES HOECHST AKTIENGESELLSCHAFT (DE) 1982-10-12 US claimed
US-4448880-A Detection of β-lactamase utilizing a chromophoric cephalosporin composition HOECHST AG. (DE) 1984-05-15 US disclosed
US-4353824-A DETECTORS OF BETA-LACTAMASES HOECHST AKTIENGESELLSCHAFT (DE) 1982-10-12 US disclosed