SCHEMBL27766176

SCHEMBL27766176

CCc1cc(F)ccc1C(C)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.36
F2RL1 P55085 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.33
RIPK1 Q13546 1/20 0.33
MC4R P32245 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP4 P27487 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9463495 0.86 AGBL2 (0.34) AGBL2F2RL1MC4RHTR2ASLC6A4
SCHEMBL13863848 0.84 AGBL2 (0.38) AGBL2F2RL1KDM4EMAPTRIPK1
SCHEMBL27830564 0.81 F2RL1 (0.37) AGBL2F2RL1HTR2AKCNH2DPP4
SCHEMBL30133776 0.81 F2RL1 (0.41) AGBL2F2RL1KDM4EMAPTRIPK1
SCHEMBL16483392 0.80 KDM4E (0.40) F2RL1KDM4EMAPTRIPK1MC4R
SCHEMBL27692709 0.78 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2LMNAMAPK1HTT
SCHEMBL25482219 0.78 DAO (0.41) AGBL2F2RL1KDM4EMAPTDPP4
SCHEMBL27011333 0.77 F2RL1 (0.33) AGBL2F2RL1KDM4EMAPTRIPK1
SCHEMBL29453752 0.75 CES2 (0.43) MC4RSLC6A4PSEN1PSEN2APH1B
SCHEMBL14774740 0.75 CES2 (0.43) MC4RSLC6A4PSEN1PSEN2APH1B

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
CN-101460476-B Organic compounds NOVARTIS AG 2013-12-04 CN disclosed
CN-101460476-A Organic compounds NOVARTIS AG (CH) 2009-06-17 CN disclosed