SCHEMBL29588441

SCHEMBL29588441

BrCc1c(Br)ccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KDM4E B2RXH2 5/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
HTT P42858 3/20 0.54
CYP3A4 P08684 2/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.54
HSP90AA1 P07900 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GMNN O75496 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54

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
SCHEMBL30002506 0.80 LMNA (0.52) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL28892334 0.80 LMNA (0.52) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL10546449 0.80 LMNA (0.52) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL28028924 0.77 PDE10A (0.47) LMNAKDM4EMAPTSMN1; SMN2CCR1
Phenanthroline SCHEMBL23925464 0.74 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL196509 0.73 LMNA (0.64) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL4538171 0.73 LMNA (0.58) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL115436 0.73 KDM4E (0.59) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL14842244 0.73 LMNA (0.58) LMNAKDM4EMAPTSMN1; SMN2CCR1
SCHEMBL4533507 0.73 LMNA (0.58) LMNAKDM4EMAPTSMN1; SMN2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478636-A Platinum complexes, nitrogenous bidentate ligands and devices emitting visible or near infrared light 季昀 2022-05-13 CN disclosed