SCHEMBL8303628

SCHEMBL8303628

OCCOc1cccc(C2=NCC(c3ccccc3)O2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
AR P10275 1/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8303630 1.00 ALOX5AP (0.38) ALOX5APFEN1HTTLMNAMEN1
SCHEMBL8610059 0.79 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1SMN1; SMN2AR
SCHEMBL8303541 0.77 KDM1A (0.39) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8303539 0.77 KDM1A (0.39) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8306290 0.77 L3MBTL1 (0.33) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8304077 0.77 P2RY1 (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8308412 0.71 P2RY1 (0.33)
SCHEMBL27907032 0.70 ALDH1A1 (0.51) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL34460861 0.68 TSHR (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31158568 0.68 TSHR (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed