SCHEMBL8778095

SCHEMBL8778095

NC(=O)NCc1ccc2c(c1)CCN2Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
CHRM3 P20309 1/20 0.46
LMNA P02545 5/20 0.46
ALOX5 P09917 2/20 0.46
EPHX2 P34913 2/20 0.46
MAPK14 Q16539 1/20 0.44
CCR8 P51685 2/20 0.44
MAPT P10636 2/20 0.44
FAAH O00519 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4728356 0.89 MAPT (0.51) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL8778007 0.83 LMNA (0.50) LMNAALOX5EPHX2KDM4EALDH1A1
SCHEMBL9088999 0.83 KDM4E (0.45) LMNAALOX5CCR8FAAHKDM4E
SCHEMBL8777898 0.81 MAPT (0.51) CHRM3LMNAALOX5EPHX2MAPT
SCHEMBL8778025 0.79 PTGER4 (0.52) LMNAMAPTALDH1A1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5709327 0.79 FFAR1 (0.61) FFAR1MAPK14KDM4EALDH1A1SMN1; SMN2
SCHEMBL8777936 0.78 TP53 (0.52) CHRM3LMNAALOX5EPHX2MAPT
SCHEMBL8777937 0.77 ALOX5 (0.55) LMNAALOX5EPHX2MAPTALDH1A1
SCHEMBL16494249 0.74 ACHE (0.55) LMNAMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8777957 0.74 LMNA (0.48) LMNAMAPTTP53POLB

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-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed