SCHEMBL11069574

SCHEMBL11069574

NC(=O)c1cc(O)c2ncccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
PARP1 P09874 1/20 0.46
PIM1 P11309 2/20 0.41
PRMT5 O14744 1/20 0.41
GRM2 Q14416 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 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
MMP2 P08253 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
COMT P21964 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
SCHEMBL11069571 0.84 KDM4E (0.41) KDM4EPRMT5NPC1RAB9AMAPT
SCHEMBL5257685 0.75 KDM4E (0.50) KDM4EPRMT5NPC1RAB9AMAPT
SCHEMBL247555 0.75 GRM2 (0.59) GRM2
Hydrochloric Acid SCHEMBL17769122 0.73 GRM2 (0.57) GRM2
SCHEMBL232938 0.73 PIM1 (0.47) KDM4EPIM1GRM2MAPTTSHR
SCHEMBL6636369 0.73 PRMT5 (0.50) KDM4EPRMT5NPC1RAB9AMAPT
SCHEMBL30625771 0.73 MMP2 (0.46) KDM4EPRMT5NPC1RAB9AMAPT
SCHEMBL163181 0.73 ALDH1A1 (0.46) KDM4EPARP1PIM1NPC1RAB9A
SCHEMBL28008057 0.73 METAP2 (0.46) KDM4EPRMT5NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL27739681 0.71 ALDH1A1 (0.44) KDM4EPARP1PIM1GRM2NPC1

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