SCHEMBL6528673

SCHEMBL6528673

Cc1cn(Cc2cccc(Cl)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 1/20 0.57
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
KDM4C Q9H3R0 1/20 0.51
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SIGMAR1 Q99720 1/20 0.45
ACP1 P24666 1/20 0.44
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.43
UBE2N P61088 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL24845648 0.84 CYP11B1 (0.58) PHF8CYP11B1CYP11B2KDM4CHTT
SCHEMBL1196872 0.83 HPGDS (0.51) PHF8CYP11B1CYP11B2KDM4CNPC1
Ethane SCHEMBL29134244 0.82 HPGDS (0.50) PHF8CYP11B1CYP11B2KDM4CNPC1
SCHEMBL6531587 0.82 PHF8 (0.51) PHF8CYP11B1CYP11B2KDM4CHTT
SCHEMBL6528669 0.81 CYP11B1 (0.55) PHF8CYP11B1CYP11B2KDM4CHTT
SCHEMBL25583831 0.81 CYP11B1 (0.55) CYP11B1CYP11B2KDM4CSMN1; SMN2NPC1
SCHEMBL18961310 0.81 CYP11B1 (0.55) PHF8CYP11B1CYP11B2KDM4CHTT
SCHEMBL24845150 0.81 CYP11B1 (0.55) PHF8CYP11B1CYP11B2KDM4CHTT
SCHEMBL4477317 0.81 CYP11B1 (0.55) PHF8CYP11B1CYP11B2
SCHEMBL6528482 0.79 LPO (0.52) LMNAALDH1A1SIGMAR1MAPTKDM4E

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-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed