SCHEMBL8552393

SCHEMBL8552393

CCOC(=O)CC(C#N)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GLO1 Q04760 1/20 0.38

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
SCHEMBL29853528 0.82 MAPT (0.43) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL20718828 0.82 MAPT (0.43) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL20718842 0.81 SMN1; SMN2 (0.39) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL9715487 0.78 ALDH1A1 (0.41) MAPTALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL1641895 0.78 MAPT (0.47) MAPTLMNAALDH1A1KMT2AGAA
SCHEMBL15486212 0.76 MAPT (0.49) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL29528967 0.76 MAPT (0.49) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL29960754 0.76 ALDH1A1 (0.49) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL8552390 0.74 ALDH1A1 (0.42) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL11819183 0.73 SMN1; SMN2 (0.42) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A

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
EP-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP disclosed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 WO disclosed