SCHEMBL8726601

SCHEMBL8726601

Nc1ccc(-c2nc(N)n[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.71
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 6/20 0.70
CYP1A2 P05177 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 4/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 4/20 0.56
GAA P10253 3/20 0.56
MAPT P10636 4/20 0.50
GFER P55789 3/20 0.50
HPGD P15428 2/20 0.50
AOC3 Q16853 1/20 0.48
POLB P06746 2/20 0.47
ATAD2 Q6PL18 1/20 0.43

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
SCHEMBL8808 0.83 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL8729070 0.83 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL8731546 0.83 KDM4E (0.92) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL21359662 0.83 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL5792174 0.83 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL7819474 0.83 ALPL (1.00) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL2848588 0.83 ALPL (0.66) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL2847578 0.83 KDM4E (1.00) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL4607720 0.81 KDM4E (0.68) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL2855034 0.80 ALPL (0.62) ALPLKDM4EALDH1A1CYP1A2MEN1

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