SCHEMBL8303541

SCHEMBL8303541

Oc1cccc(C2=NC[C@@H](c3ccccc3)O2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
CA1 P00915 1/20 0.35
MAOB P27338 6/20 0.35
ADORA3 P0DMS8 3/20 0.35
AR P10275 3/20 0.35
CYP19A1 P11511 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.35
HSD11B1 P28845 1/20 0.34
AKR1C3 P42330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8303539 1.00 KDM1A (0.39) KDM1ACA1MAOBADORA3AR
SCHEMBL8303630 0.77 ALOX5AP (0.38) ARKDM4EALDH1A1MAPK1RAB9A
SCHEMBL8303628 0.77 ALOX5AP (0.38) ARKDM4EALDH1A1MAPK1RAB9A
SCHEMBL31158568 0.76 TSHR (0.50) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL34460861 0.76 TSHR (0.50) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL17459434 0.75 PRKCZ (0.42) KDM1AMAOBARKDM4EALDH1A1
SCHEMBL27806570 0.75 HDAC3 (0.41) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL27848552 0.75 HDAC3 (0.41) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL27907026 0.75 ATM (0.41) MAOBADORA3ARCYP19A1KDM4E
SCHEMBL8304077 0.75 P2RY1 (0.37) MAOBKDM4EHSD17B10ALDH1A1HPGD

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-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US 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