SCHEMBL28857368

SCHEMBL28857368

C=C(C)C(=O)Oc1ccc(NNc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
KMT2A Q03164 5/20 0.46
ATM Q13315 1/20 0.46
CTSD P07339 1/20 0.44
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 1/20 0.38
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7268906 0.85 ELANE (0.54) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL22258850 0.80 MAPT (0.58) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL56436 0.79 ELANE (0.69) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL11062201 0.78 SMN1; SMN2 (0.53) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL28213766 0.78 ELANE (0.49) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL10350793 0.78 SMN1; SMN2 (0.53) ELANEKMT2AATMHSD17B10MEN1
SCHEMBL2032682 0.77 KMT2A (0.70) ELANEKMT2AHSD17B10MEN1LMNA
SCHEMBL22356456 0.76 ELANE (0.50) ELANEKMT2AATMMEN1SMN1; SMN2
SCHEMBL22258851 0.76 MAPT (0.53) ELANEKMT2AATMHSD17B10MEN1
Pyridine SCHEMBL28135300 0.76 ELANE (0.61) ELANEKMT2AATMHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160488-A Preparation method of azopyridine-containing multiple-response intelligent hydrogel 常州工学院 2022-10-11 CN claimed
CN-115160488-A Preparation method of azopyridine-containing multiple-response intelligent hydrogel 常州工学院 2022-10-11 CN disclosed
CN-115160488-A Preparation method of azopyridine-containing multiple-response intelligent hydrogel 常州工学院 2022-10-11 CN disclosed