SCHEMBL7978828

SCHEMBL7978828

O=C(c1ccsc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
ENPP2 Q13822 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SIRT2 Q8IXJ6 5/20 0.33
ELANE P08246 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL5682164 0.83 CYP11B1 (0.43) KMT2AENPP2CYP11B1CYP11B2SIRT2
SCHEMBL5690739 0.79 SIRT2 (0.42) HPGDKMT2AENPP2CYP11B1CYP11B2
SCHEMBL6958462 0.78 SIRT2 (0.34) ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL670904 0.77 CYP11B1 (0.43) HPGDENPP2CYP11B1CYP11B2SIRT2
SCHEMBL2916350 0.76 PRKAA2 (0.37) KMT2ACYP11B1CYP11B2ELANE
SCHEMBL7803955 0.76 NPC1 (0.36) KMT2AENPP2SIRT2
SCHEMBL7803942 0.75 SIRT2 (0.36) ENPP2CYP11B1CYP11B2SIRT2
SCHEMBL1040045 0.75 CYP11B1 (0.41) KMT2AENPP2CYP11B1CYP11B2SIRT2
SCHEMBL28422181 0.75 ADA (0.47) KMT2AENPP2CYP11B1CYP11B2SIRT2
SCHEMBL693097 0.75 CYP11B1 (0.41) FYNKMT2AENPP2CYP11B1CYP11B2

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
US-6313309-B1 BENZOTHIOPHENYL-1H-IMIDAZOLE ANALGESICS; HYPOTENSIVE AGENTS, ANTIDEPRESSANTS; SEXUAL, ATTENTION DEFICIT, AND HYPERACTIVE DISORDERS; DELTA-OPIOD RECEPTOR AGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-06 US disclosed
WO-1999051593-A1 4-THIONAPHTHYL-1H-IMIDAZOLES WITH ALPHA-2-ADRENERGIC ACTIVITY ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-14 WO disclosed