SCHEMBL9024896

SCHEMBL9024896

COc1ccc(Br)cc1C(N)c1occ2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYB P10242 4/20 0.36
NQO1 P15559 1/20 0.36
NPC1 O15118 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
ACHE P22303 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
LPAR1 Q92633 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9025520 0.86 METAP2 (0.38) MYBNQO1TSHRMEN1POLB
SCHEMBL9025089 0.86 KDM4E (0.41) NQO1NPC1RAB9AMEN1KMT2A
SCHEMBL9026859 0.86 ADRA2A (0.45) NQO1NPC1TSHRRAB9AMEN1
SCHEMBL9025568 0.85 METAP2 (0.39) NQO1NPC1RAB9AMEN1POLB
SCHEMBL9026008 0.85 PKM (0.38) NQO1MAPTACHEGPR84
SCHEMBL9216019 0.85 NQO1 (0.36) MYBNQO1MAPTACHEGPR84
SCHEMBL9026464 0.82 LTA4H (0.39) NQO1NPC1RAB9AMEN1KMT2A
SCHEMBL9032018 0.80 DHFR (0.39) NPC1TSHRRAB9AMAPTLMNA
SCHEMBL9025436 0.79 TSHR (0.39) TSHRMEN1POLBKMT2AGPR84
SCHEMBL9025514 0.78 PDE4A (0.39) NPC1RAB9AMEN1POLBKMT2A

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 4 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 claimed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO claimed
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