SCHEMBL4701189

SCHEMBL4701189

NC(=O)c1ccc2c(c1)CC(C(=O)Nc1nccs1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SCD O00767 1/20 0.42

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
SCHEMBL4701294 0.82 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4293350 0.73 RAB9A (0.77) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL2654124 0.72 NPC1 (0.77) NPC1SMN1; SMN2LMNAALOX15MAPK1
SCHEMBL4555606 0.71 CHEK2 (0.36) NPC1RAB9ASMN1; SMN2LMNARECQL
SCHEMBL17404960 0.70 NPC1 (0.68) NPC1SMN1; SMN2LMNAALOX15MAPK1
SCHEMBL18394945 0.69 NPC1 (0.63) NPC1SMN1; SMN2LMNAALOX15MAPK1
SCHEMBL8013302 0.68 NPC1 (0.67) NPC1RAB9ASMN1; SMN2LMNAALOX15
SCHEMBL21222596 0.68 NPC1 (0.58) NPC1RAB9AL3MBTL1ALOX15POLB
SCHEMBL21222595 0.68 NPC1 (0.58) NPC1RAB9AL3MBTL1ALOX15POLB
SCHEMBL4286248 0.68 RAB9A (0.72) NPC1RAB9ASMN1; SMN2LMNARECQL

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-1973890-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed