SCHEMBL28015035

SCHEMBL28015035

[CH2]c1cccc2sc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.44
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 2/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NOTUM Q6P988 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 4/20 0.39
MAPT P10636 2/20 0.39
PAX8 Q06710 1/20 0.39
NOD2 Q9HC29 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL28015755 0.85 APP (0.44) APPKDM4EGAAALDH1A1KMT2A
SCHEMBL28015179 0.84 ADORA3 (0.47) APPKDM4EGAAALDH1A1KMT2A
SCHEMBL28819119 0.84 APP (0.44) APPMGLLKDM4EGAAMGAM
SCHEMBL28033960 0.81 ALDH1A1 (0.51) APPKDM4EGAAMGAMSI
SCHEMBL28015721 0.76 ALDH1A1 (0.45) KDM4EGAAALDH1A1KMT2ARAB9A
SCHEMBL28015197 0.75 CASP3 (0.46) APPKDM4EGAAMGAMSI
SCHEMBL28015703 0.75 KDM4E (0.49) KDM4EALDH1A1KMT2ARAB9AMAPT
SCHEMBL25649453 0.73 KDM4E (0.44) APPMGLLKDM4EGAAMGAM
SCHEMBL3007676 0.73 RAB9A (0.69) APPMGLLKDM4EGAAMGAM
SCHEMBL19057540 0.72 APP (0.40) APPMGLLKDM4EGAAMGAM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed