SCHEMBL8729070

SCHEMBL8729070

Nc1n[nH]c(-c2ccc(Br)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.67
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP1A2 P05177 3/20 0.66
DGAT1 O75907 1/20 0.56
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
USP2 O75604 1/20 0.52
AOC3 Q16853 1/20 0.49
HPGD P15428 2/20 0.47
MAPT P10636 5/20 0.46

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
SCHEMBL8726601 0.83 ALPL (0.71) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL8731546 0.80 KDM4E (0.92) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL8808 0.80 ALPL (0.67) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL7819474 0.80 ALPL (1.00) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL5792174 0.80 ALPL (0.67) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL21359662 0.80 ALPL (0.67) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL2847578 0.79 KDM4E (1.00) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL4607720 0.78 KDM4E (0.68) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL2855034 0.77 ALPL (0.62) ALPLKDM4EALDH1A1MEN1KMT2A
SCHEMBL2848588 0.76 ALPL (0.66) ALPLKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed