SCHEMBL21949210

SCHEMBL21949210

COc1cc(N(C)C(=O)CCN(C)C)c([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL26024574 0.90 MMP1 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL26024559 0.90 MMP1 (0.43) MMP1MMP2MMP9MMP8MMP13
SCHEMBL21949614 0.88 MMP1 (0.42) MMP1MMP2MMP9MMP8MMP13
SCHEMBL17059204 0.87 MMP1 (0.42) MMP1MMP2MMP9MMP8MMP13
SCHEMBL29531606 0.87 MMP1 (0.42) MMP1MMP2MMP9MMP8MMP13
SCHEMBL26024534 0.84 HTT (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL30235399 0.83 ALDH1A1 (0.52) MMP1MMP2MMP9MMP8MMP13
SCHEMBL30917031 0.82 MMP1 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL19221938 0.81 KDM4E (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL21949203 0.81 MMP1 (0.41) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed