SCHEMBL7583757

SCHEMBL7583757

Cc1cncc(C)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.50
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
CRHR1 P34998 4/20 0.43
AHR P35869 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL25294617 0.81 CYP3A4 (0.52) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL30522557 0.81 CYP3A4 (0.52) HSP90AA1HSP90AB1KMT2AMEN1ALDH1A1
SCHEMBL17612778 0.74 HSD11B1 (0.43) HSD11B1HSP90AA1HSP90AB1CRHR1AHR
SCHEMBL4452962 0.74 AHR (0.56) HSD11B1HSP90AA1HSP90AB1AHRALDH1A1
SCHEMBL14206717 0.71 CNR1 (0.44) KMT2AMEN1ALDH1A1HPGD
SCHEMBL29624840 0.71 AHR (0.64) HSD11B1HSP90AA1HSP90AB1CRHR1AHR
SCHEMBL464507 0.71 AHR (0.64) HSD11B1HSP90AA1HSP90AB1CRHR1AHR
SCHEMBL4445166 0.70 AHR (0.58) HSD11B1HSP90AA1HSP90AB1AHRALDH1A1
SCHEMBL7578666 0.69 HSD11B1 (0.50) HSD11B1HSP90AA1HSP90AB1CRHR1KMT2A
SCHEMBL2963945 0.69 TSHR (0.44) HSD11B1HSP90AA1HSP90AB1CRHR1AHR

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
EP-0773248-B1 Polymers with heterocyclic side groups MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
US-5668245-A PHENYLENE POLYMERS WITH HETEROCYCLIC SIDE GROUPS MAXDEM INCORPORATED (US) 1997-09-16 US disclosed
EP-0773248-A1 Polymers with heterocyclic side groups MAXDEM INCORPORATED (US) 1997-05-14 EP disclosed