SCHEMBL28585136

SCHEMBL28585136

C=C(C)C(=O)Oc1ccc(N=Nc2ccc(C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
KMT2A Q03164 7/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A3 P47895 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
STS P08842 1/20 0.33

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
SCHEMBL7738348 0.91 ELANE (0.56) ELANEKMT2AATMALDH1A1CYP2A6
SCHEMBL14690320 0.89 ELANE (0.57) ELANEKMT2AATMALDH1A1KDM4E
SCHEMBL21417648 0.86 ELANE (0.51) ELANEKMT2AATMALDH1A1CYP2A6
Isopropyl Alcohol SCHEMBL9818988 0.84 ELANE (0.50) ELANEKMT2AATMALDH1A1CYP2A6
Alcohol SCHEMBL28535371 0.84 KMT2A (0.50) ELANEKMT2AATMALDH1A1CYP2A6
SCHEMBL13621641 0.83 ELANE (0.51) ELANEKMT2AATMALDH1A1KDM4E
SCHEMBL941110 0.83 ELANE (0.64) ELANEKMT2AATMALDH1A1KDM4E
SCHEMBL14791139 0.83 ELANE (0.51) ELANEKMT2AATMALDH1A1MAPT
SCHEMBL12452197 0.83 LMNA (0.52) ELANEKMT2AATMALDH1A1MAPT
SCHEMBL941111 0.83 ELANE (0.64) ELANEKMT2AATMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045778-B Preparation method of dual-response self-repairing hydrogel 常州大学 2022-05-31 CN claimed
CN-113045778-A Preparation method of dual-response self-repairing hydrogel 常州大学 2021-06-29 CN claimed
CN-113045778-B Preparation method of dual-response self-repairing hydrogel 常州大学 2022-05-31 CN disclosed
CN-113045778-B Preparation method of dual-response self-repairing hydrogel 常州大学 2022-05-31 CN disclosed
CN-113045778-A Preparation method of dual-response self-repairing hydrogel 常州大学 2021-06-29 CN disclosed
CN-113045778-A Preparation method of dual-response self-repairing hydrogel 常州大学 2021-06-29 CN disclosed