SCHEMBL5332224

SCHEMBL5332224

COc1ccc2c(c1)-c1onc(C(=O)N(C)CC(C)C)c1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.57
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
MAPT P10636 10/20 0.57
ALDH1A1 P00352 8/20 0.57
LMNA P02545 5/20 0.57
HTT P42858 3/20 0.57
RECQL P46063 2/20 0.57
HSD17B10 Q99714 7/20 0.53
TP53 P04637 5/20 0.53
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 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
SCHEMBL5340173 0.81 RAB9A (0.69) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31649865 0.80 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31650451 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL11903011 0.72 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31649581 0.71 CYP1A2 (0.60) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL11791035 0.68 NPC1 (0.46) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31650221 0.67 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31650070 0.66 TP53 (0.43) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL17264300 0.66 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL17261641 0.66 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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
WO-2007067710-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067710-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed