SCHEMBL9032014

SCHEMBL9032014

CC(C)Oc1ccc(Cl)cc1C(N)c1occ2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC9A1 P19634 1/20 0.34
TLR8 Q9NR97 1/20 0.34
MAP2 P11137 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP2 P50579 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ATM Q13315 1/20 0.33
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32
CSNK2A1 P68400 2/20 0.32
SCN4A P35499 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL9025568 0.88 METAP2 (0.39) MAPTMEN1NPC1POLBKMT2A
SCHEMBL9026040 0.86 HTR2C (0.39) MAPTSLC9A1MEN1POLBKMT2A
SCHEMBL9025431 0.79 MEN1 (0.39) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9025465 0.78 CCR2 (0.34) NPC1
SCHEMBL9031998 0.76 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19SLC9A1
SCHEMBL9025682 0.75 HTR2C (0.36) MAPTSLC9A1MEN1NPC1POLB
SCHEMBL9026859 0.74 ADRA2A (0.45) MAPTCYP1A2MEN1NPC1POLB
SCHEMBL9025520 0.74 METAP2 (0.38) MAPTMEN1POLBKMT2AMETAP2
SCHEMBL9025089 0.74 KDM4E (0.41) MAPTMEN1NPC1KMT2A
SCHEMBL9026660 0.74 MAPT (0.35) MAPTMEN1POLBKMT2ALMNA

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-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed