SCHEMBL2449797

SCHEMBL2449797

CC(C)(N)c1ccc2cc(Oc3cccc(Cl)c3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 3/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
PKM P14618 1/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37

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
SCHEMBL2454096 0.87 MAOB (0.41) ARSCN5ASCN9AMAPTABL1
SCHEMBL2777104 0.87 MAOB (0.41) ARSCN5ASCN9AMAPTABL1
SCHEMBL2448045 0.82 KIF11 (0.50) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL2448201 0.79 PTGS1 (0.39) MAPTHTTTP53CYP2C9MEN1
SCHEMBL19628791 0.79 MAPT (0.52) ARSCN5ASCN9AMAPTCYP2C9
SCHEMBL2488367 0.79 RAB9A (0.56) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL2449524 0.78 SOS1 (0.44) MAPTMAOBSLC6A4HTR2AMAP4K4
SCHEMBL2452091 0.78 RAB9A (0.43) SCN5ASCN9AMAPTLMNASLC6A4
SCHEMBL2449570 0.76 MAPT (0.45) MAPTLMNAHTTSLC6A4HTR2A
SCHEMBL11664698 0.76 AR (0.57) ARSCN5ASCN9ASLC6A4HTR2A

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-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP claimed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO claimed