SCHEMBL3127056

SCHEMBL3127056

Oc1cccc(/C=N/c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
AKR1C3 P42330 1/20 0.54
DHODH Q02127 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 2/20 0.49
BLM P54132 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL3127067 1.00 PTGS1 (0.62) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL13310273 0.92 PTGS2 (0.71) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL11410828 0.90 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL11410825 0.90 PTGS1 (0.59) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
3-(Benzylideneamino)Phenol SCHEMBL5230991 0.89 PTGS1 (0.50) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
3-(Benzylideneamino)Phenol SCHEMBL5230984 0.89 PTGS1 (0.50) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL29870717 0.89 PTGS2 (0.67) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL11310084 0.89 PTGS2 (0.67) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
SCHEMBL11310081 0.89 PTGS2 (0.67) PTGS1PTGS2SMN1; SMN2AKR1C3DHODH
Phenol SCHEMBL3852646 0.86 S100B (0.61) PTGS1PTGS2SMN1; SMN2DHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO claimed
WO-2010035948-A1 NOVEL (1,3-BUTADIEN-2-YL)METHYLAMINE DERIVATIVES AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2010-04-01 WO disclosed
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO disclosed
US-4235929-A TOPICAL ADMINISTRATION OF ANTIINFLAMMATORY AGENT WILLIAM H. RORER, INC. (US) 1980-11-25 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4176198-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1979-11-27 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed