SCHEMBL4437345

SCHEMBL4437345

Clc1ccc(-c2csc(-c3ccccn3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.72
KDM4E B2RXH2 5/20 0.68
RAB9A P51151 4/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPK1 P28482 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 3/20 0.56
PKM P14618 1/20 0.56
GFER P55789 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
PDE10A Q9Y233 1/20 0.55
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP1B1 Q16678 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL17014755 0.87 RAB9A (0.66) CYP19A1KDM4ERAB9AALDH1A1MAPK1
SCHEMBL23743236 0.84 CYP19A1 (0.72) CYP19A1KDM4ERAB9AALDH1A1MAPK1
SCHEMBL4436213 0.84 SREBF2 (0.67) CYP19A1KDM4ERAB9AALDH1A1MAPK1
Bromide SCHEMBL8052759 0.83 CYP19A1 (0.70) CYP19A1KDM4ERAB9AALDH1A1MAPK1
SCHEMBL1741719 0.81 CYP19A1 (0.79) CYP19A1KDM4ERAB9AALDH1A1MAPK1
SCHEMBL4281217 0.80 RAB9A (0.75) CYP19A1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL11455457 0.80 RAB9A (0.75) CYP19A1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL11466217 0.79 KDM4E (0.86) CYP19A1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL196552 0.79 L3MBTL1 (0.64) CYP19A1KDM4ERAB9AALDH1A1MAPK1
SCHEMBL29498755 0.79 L3MBTL1 (0.64) CYP19A1KDM4ERAB9AALDH1A1MAPK1

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-2120580-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS Baylor College Of Medicine (US) 2009-11-25 EP disclosed
WO-2008097835-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE OF MEDICINE (US) 2008-08-14 WO disclosed