SCHEMBL8690994

SCHEMBL8690994

CC(=O)C(C(C)=O)C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8691608 0.86 L3MBTL1 (0.48) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL10137785 0.82 KMT2A (0.51) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL7642 0.79 POLB (0.52) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL3844115 0.78 CES1 (0.52) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL5294436 0.77 KMT2A (0.47) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL5972942 0.76 ALDH1A1 (0.46) KMT2AMEN1KDM4ELMNAHPGD
Ethylene SCHEMBL10772569 0.75 POLB (0.48) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL8690484 0.74 KMT2A (0.49) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL1867578 0.73 ACACB (0.49) KMT2AMEN1NPC1EPHX1CYP1A2
SCHEMBL12459110 0.73 MME (0.53) KMT2AMEN1NPC1RAB9A

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
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed