SCHEMBL9056192

SCHEMBL9056192

CCCCN1NC(Cc2ccc(Br)cc2)=C(C(=O)OCC)C1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALOX5 P09917 1/20 0.36
PTPN1 P18031 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 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
SCHEMBL9057832 0.94 PDE3B (0.41) PDE3BPDE3APOLBL3MBTL1ALOX5
SCHEMBL9057491 0.84 PDE3B (0.40) PDE3BPDE3APOLBL3MBTL1ALOX5
SCHEMBL9057724 0.82 CASP3 (0.44) PDE3BPDE3APOLBALOX5MAPT
SCHEMBL9056689 0.78 ALOX5 (0.36) PDE3BPDE3AALOX5MAPTSMN1; SMN2
SCHEMBL9056202 0.76 SMN1; SMN2 (0.36) PDE3BPDE3APOLBL3MBTL1MAPT
SCHEMBL9056168 0.76 PDE3B (0.40) PDE3BPDE3APOLBL3MBTL1ALOX5
SCHEMBL9056321 0.76 POLB (0.39) PDE3BPDE3APOLBL3MBTL1MAPT
SCHEMBL9056751 0.76 PDE3B (0.40) PDE3BPDE3APOLBL3MBTL1ALOX5
SCHEMBL9056909 0.75 SMN1; SMN2 (0.35) PDE3BPDE3APOLBL3MBTL1MAPT
SCHEMBL9056166 0.75 PTPN1 (0.41) PDE3BPDE3APOLBL3MBTL1PTPN1

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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed