SCHEMBL7328830

SCHEMBL7328830

COc1cc(-c2ccc(C=O)o2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
LMNA P02545 2/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
HAO1 Q9UJM8 1/20 0.46
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
STAT1 P42224 1/20 0.42
ALOX5 P09917 1/20 0.40

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
SCHEMBL6385751 0.86 PDE4A (0.69) PDE4AALDH1A1KDM4ELMNALDHA
SCHEMBL7833840 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL1116276 0.79 HTRA2 (0.56) PDE4AALDH1A1KDM4ELMNALDHA
SCHEMBL22126667 0.79 LDHA (0.63) PDE4AALDH1A1KDM4ELMNALDHA
SCHEMBL22126655 0.78 ALDH1A1 (0.60) PDE4AALDH1A1KDM4ELMNALDHA
SCHEMBL7317023 0.76 ALDH1A1 (0.48) PDE4AALDH1A1KDM4ELMNALDHA
SCHEMBL7524655 0.76 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAPOLBTDP1
SCHEMBL2320172 0.74 KDM4E (0.61) ALDH1A1KDM4ELMNALDHALDHB
SCHEMBL7326155 0.73 PDE4A (0.50) PDE4AALDH1A1KDM4EMAPTNPC1
SCHEMBL8974039 0.73 ALDH1A1 (0.59) ALDH1A1KDM4ELMNALDHALDHB

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
US-4895867-A 2-(5-phenyl-2-furanyl)imidazoles useful as cardiotonic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-01-23 US disclosed
US-4882354-A N-hydroxy-5-phenyl-2-furancarboximidamides useful as cardiotonic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-11-21 US disclosed
EP-0321431-A1 N-hydroxy-5-phenyl-2-furancarboximidamides useful as cardiotonic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1989-06-21 EP disclosed
EP-0251380-A2 2- (5-phenyl-2-furanyl) imidazoles useful as cardiotonic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1988-01-07 EP disclosed