SCHEMBL28778787

SCHEMBL28778787

CC(C)(C)OC(=O)c1n[nH]cc1-c1ccc(Cl)nn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ATR Q13535 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 6/20 0.32
ALPL P05186 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL20567149 0.74 LMNA (0.40) KMT2ALMNAALDH1A1CNR1CNR2
SCHEMBL28048741 0.73 ALDH1A1 (0.54) LMNAHTTALDH1A1GABRA1GABRG2
SCHEMBL20046201 0.70 LMNA (0.55) KMT2ALMNAATRGABRA1GABRG2
SCHEMBL30670211 0.70 LMNA (0.55) KMT2ALMNAATRGABRA1GABRG2
SCHEMBL7421480 0.69 ALDH1A1 (0.41) LMNAALDH1A1CNR1CNR2NPSR1
SCHEMBL27869406 0.67 ALDH1A1 (0.40) LMNAALDH1A1CNR1CNR2NPSR1
SCHEMBL30599569 0.66 ALDH1A1 (0.47) KMT2ALMNAMEN1ALDH1A1CNR1
SCHEMBL2210499 0.66 ALDH1A1 (0.47) KMT2ALMNAMEN1ALDH1A1CNR1
SCHEMBL1633849 0.66 ALDH1A1 (0.40) LMNAALDH1A1NPSR1GABRA1GABRG2
SCHEMBL38655809 0.66 ALDH1A1 (0.43) KMT2ALMNAMEN1ALDH1A1NPSR1

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
CN-101374843-B Triazolopyridazines as tyrosine kinase modulators JANSSEN PHARMACEUTICA NV 2012-09-05 CN disclosed
CN-101374843-A Triazolopyridazines as tyrosine kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2009-02-25 CN disclosed