SCHEMBL5735902

SCHEMBL5735902

CC(Br)(C(N)=O)c1cc(N)ccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
CTNNB1 P35222 1/20 0.43
TTR P02766 2/20 0.41
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.40
TSPO P30536 1/20 0.39
CYP3A4 P08684 2/20 0.39
RIPK1 Q13546 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL5738232 0.80 RXRA (0.47) MAOBMAOAMAPTSMN1; SMN2HDAC6
SCHEMBL5381249 0.75 GAA (0.48) BRD4MAOBMAOACYP3A4CYP1A2
SCHEMBL2748501 0.75 CTNNB1 (0.54) BRD4CTNNB1TTRMAOBMAOA
SCHEMBL5554679 0.73 BRD4 (0.52) BRD4CTNNB1TTRMAOBMAOA
SCHEMBL4408621 0.72 MAOB (0.47) BRD4MAOBMAOACYP3A4RIPK1
SCHEMBL1821619 0.71 CTNNB1 (0.49) BRD4CTNNB1TTRTSPORIPK1
SCHEMBL3223768 0.71 HSD17B10 (0.52) BRD4CTNNB1TTRTSPOCYP3A4
SCHEMBL28738313 0.70 BRD4 (0.46) BRD4MAOBMAOACYP3A4CYP1A2
SCHEMBL8769337 0.70 POLB (0.56) BRD4CTNNB1TTRMAOBMAOA
SCHEMBL29625906 0.70 BRD4 (0.46) BRD4MAOBMAOACYP3A4CYP1A2

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
EP-1549309-A4 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RES LAB INC (US) 2006-05-17 EP disclosed
EP-1549309-A2 SOMATOSTATIN ANALOGUE COMPOUNDS ChemBridge Research Laboratories, Inc. (US) 2005-07-06 EP disclosed
WO-2003090677-A2 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RESEARCH LAB., LLC (US) 2003-11-06 WO disclosed