SCHEMBL9056741

SCHEMBL9056741

CCCN1NC(CC)=C(C(=O)OC)C1Cc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
ATM Q13315 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9056112 0.87 SMN1; SMN2 (0.39) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9057140 0.85 PTPN2 (0.39) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9056310 0.84 SMN1; SMN2 (0.36) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9056269 0.81 SMN1; SMN2 (0.38) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9058024 0.78 PDE3B (0.42) LMNASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9056251 0.78 PDE3B (0.42) LMNASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL9058030 0.78 SCN9A (0.42)
SCHEMBL9056198 0.78 LMNA (0.37) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9056909 0.77 SMN1; SMN2 (0.35) LMNASMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9055880 0.77 TDP1 (0.39) LMNASMN1; SMN2KMT2AMEN1TDP1

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