SCHEMBL8726592

SCHEMBL8726592

Nc1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.61
KDM4E B2RXH2 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 2/20 0.59
ATM Q13315 1/20 0.59
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 3/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
KIF11 P52732 2/20 0.47
AOC3 Q16853 1/20 0.46
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.42

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
SCHEMBL2855034 0.84 ALPL (0.62) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL25406802 0.82 ALDH1A1 (0.51) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL26464405 0.80 NPC1 (0.67) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL18284795 0.80 KDM4E (0.57) ALPLKDM4ENPC1RAB9ACYP1A2
SCHEMBL8808 0.79 ALPL (0.67) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL8726601 0.79 ALPL (0.71) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL4607720 0.77 KDM4E (0.68) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL7819474 0.76 ALPL (1.00) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL21359662 0.76 ALPL (0.67) ALPLKDM4ENPC1RAB9APOLB
SCHEMBL8731546 0.76 KDM4E (0.92) ALPLKDM4ENPC1RAB9ACYP1A2

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