SCHEMBL26577159

SCHEMBL26577159

COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 9/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.47
PKM P14618 2/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL16668618 0.88 SIRT6 (0.46) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL29974407 0.88 SIRT6 (0.46) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL20680880 0.87 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL19222008 0.85 ABL1 (0.42) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL25497224 0.84 PKM (0.38) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL26027328 0.83 MAPT (0.40) ALDH1A1MAPTMAPK1PKMHTT
SCHEMBL28836526 0.83 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL20689783 0.83 GAA (0.48) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL21949289 0.82 WDR5 (0.43) ALDH1A1MAPTMAPK1NPSR1
SCHEMBL7143311 0.80 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658547-B1 PROCESS FOR PREPARING N-(5-(4-(4-FORMYL-3-PHENYL-1H-PYRAZOL-1-YL)PYRIMIDIN-2-YLAMINO)-4-METHOXY-2-MORPHOLINOPHENYL)ACRYLAMIDE YUHAN CORP (KR) 2023-08-16 EP claimed
EP-3658547-B1 PROCESS FOR PREPARING N-(5-(4-(4-FORMYL-3-PHENYL-1H-PYRAZOL-1-YL)PYRIMIDIN-2-YLAMINO)-4-METHOXY-2-MORPHOLINOPHENYL)ACRYLAMIDE YUHAN CORP (KR) 2023-08-16 EP disclosed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 CN disclosed
WO-2022060196-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 보로노이바이오 주식회사 2022-03-24 WO disclosed