SCHEMBL9024534

SCHEMBL9024534

COc1ccc(Cl)cc1C(N)c1occ2cc(Cl)c(C)c(Cl)c12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL9027103 0.81 ACHE (0.35) NPC1RAB9ANPSR1TDP1L3MBTL1
SCHEMBL9026705 0.81 SLC6A2 (0.37) POLBNPC1RAB9ANPSR1TDP1
SCHEMBL9025568 0.76 METAP2 (0.39) POLBNPC1RAB9ANPSR1TDP1
SCHEMBL9025767 0.75 SLC9A1 (0.37) POLBNPC1RAB9ANPSR1TDP1
SCHEMBL9026972 0.74 LPAR1 (0.35) POLBNPC1RAB9ASLC6A2SLC6A4
SCHEMBL9025817 0.74 LPAR1 (0.36) POLBNPC1RAB9ANPSR1TDP1
SCHEMBL9024531 0.71 HTT (0.35) POLBRAB9ANPSR1SLC6A2SLC6A4
SCHEMBL9025682 0.71 HTR2C (0.36) POLBNPC1L3MBTL1
SCHEMBL9025107 0.69 OPRK1 (0.35) POLBNPC1L3MBTL1ALDH1A1KDM4E
SCHEMBL9025294 0.68 HTT (0.33) NPSR1

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