SCHEMBL3630701

SCHEMBL3630701

O=CC(c1ccc(Cl)cc1)c1ccc(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
KDR P35968 2/20 0.35
CNR1 P21554 3/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPK1 P28482 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4686827 0.86 TP53 (0.44) CNR1KMT2ALMNATP53SMN1; SMN2
SCHEMBL6167915 0.77 TP53 (0.40) FLT1FLT4KDRCNR1LMNA
SCHEMBL11458875 0.77 IDO1 (0.51) CNR1KMT2ALMNATP53SMN1; SMN2
SCHEMBL3663698 0.76 CNR1 (0.53) CNR1KMT2ALMNAATMBRD4
SCHEMBL480139 0.76 MEN1 (0.37) KMT2ASMN1; SMN2
SCHEMBL3658338 0.74 MEN1 (0.46) KMT2ALMNATP53SMN1; SMN2HTT
SCHEMBL1978297 0.74 HSD17B10 (0.46) LMNATP53BRD4HDAC4HDAC7
SCHEMBL5188701 0.74 MAPT (0.44) FLT1FLT4KDRCNR1KMT2A
SCHEMBL473977 0.73 MAPK1 (0.41) KMT2ALMNATP53NPSR1HTT
SCHEMBL2010819 0.72 S1PR1 (0.38) KMT2ALMNASMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146997-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-27 EP disclosed
WO-2008127585-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-23 WO disclosed