SCHEMBL8430653

SCHEMBL8430653

COC(=O)c1cc(C)nn1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.57
SMYD3 Q9H7B4 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.51
GRN P28799 2/20 0.50
SORT1 Q99523 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL24434966 0.87 RAB9A (0.58) RAB9AGAASMN1; SMN2POLBSMYD3
SCHEMBL4006702 0.87 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2POLBSMYD3TDP1
SCHEMBL27974299 0.86 RAB9A (0.60) RAB9AGAASMN1; SMN2MAPTNPC1
SCHEMBL4911657 0.86 SMN1; SMN2 (0.54) RAB9AGAASMN1; SMN2POLBTDP1
SCHEMBL20488594 0.86 SMN1; SMN2 (0.54) RAB9AGAASMN1; SMN2POLBTDP1
SCHEMBL5178107 0.85 GRN (0.67) RAB9ASMN1; SMN2POLBSMYD3TDP1
SCHEMBL5813326 0.85 SMYD3 (0.51) RAB9AGAASMN1; SMN2POLBSMYD3
SCHEMBL20488433 0.84 SMN1; SMN2 (0.53) SMN1; SMN2POLBTDP1MAPTKMT2A
SCHEMBL24797758 0.84 GRN (0.58) RAB9AGAASMN1; SMN2POLBTDP1
SCHEMBL5809543 0.84 SMYD3 (0.57) RAB9ASMN1; SMN2POLBSMYD3TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed