SCHEMBL8777954

SCHEMBL8777954

[CH2]Cc1ccccc1Oc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SLC1A5 Q15758 1/20 0.47
P2RX7 Q99572 1/20 0.41
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
HTR1A P08908 2/20 0.36
ABCB1 P08183 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
P2RX4 Q99571 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL5023935 0.82 KDM4E (0.51) KDM4ESLC1A5P2RX7PDE4APDE4B
SCHEMBL6827514 0.82 KDM4E (0.51) KDM4ESLC1A5P2RX7LTA4HPTGS2
SCHEMBL27290163 0.82 KDM4E (0.51) KDM4ESLC1A5P2RX7LTA4HPTGS2
SCHEMBL8287033 0.82 KDM4E (0.51) KDM4ESLC1A5P2RX7LTA4HPTGS2
Hydrochloric Acid SCHEMBL3291564 0.81 KDM4E (0.50) KDM4ESLC1A5P2RX7LTA4HPTGS2
SCHEMBL11138427 0.80 KDM4E (0.66) KDM4ESLC1A5LTA4HPTGS2LMNA
SCHEMBL9359315 0.78 KDM4E (0.63) KDM4ESLC1A5LTA4HPTGS2LMNA
SCHEMBL24018801 0.78 SLC6A4 (0.53) KDM4ESLC1A5P2RX7ALDH1A1
SCHEMBL5018822 0.78 KDM4E (0.47) KDM4ESLC1A5P2RX7LTA4HPTGS2
SCHEMBL4611564 0.77 CXCL8 (0.56) KDM4ESLC1A5P2RX4CYP1A2PDE4A

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
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
EP-0651743-A1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1995-05-10 EP disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed
EP-0030867-A1 Process for the preparation of substituted pyridinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-24 EP disclosed
US-4266063-A FROM A HALOPYRIDINE AND HYDROQUINONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-05 US disclosed