SCHEMBL6609541

SCHEMBL6609541

CC(C)(C)OC(=O)N1CCN(CCc2cc(Cl)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
STS P08842 1/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
P2RX3 P56373 1/20 0.39
ACKR3 P25106 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.38
MET P08581 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
CNR1 P21554 1/20 0.37
SETD7 Q8WTS6 1/20 0.37

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
SCHEMBL6608769 0.86 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29257897 0.80 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL213732 0.79 HRH2 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL15567036 0.79 KMT2A (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL2735430 0.78 KDM4E (0.53) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5474611 0.77 ALDH1A1 (0.58) ALDH1A1MAPTLMNAVEGFAEGLN1
SCHEMBL26122711 0.76 ALDH1A1 (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL13648180 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL21253089 0.75 KDM4E (0.55) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL31487436 0.75 MAPT (0.59) ALDH1A1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706524-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 5- 2-(4-(BENZOISOTHIAZOL-3-YL)-PIPERAZIN-1-YL)ETHYL]-6-CHLORO-1,3-DIHYDRO-INDOL-2-ONE PFIZER (US) 2004-09-22 EP disclosed
EP-0706524-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 5- 2-(4-(BENZOISOTHIAZOL-3-YL)-PIPERAZIN-1-YL)ETHYL]-6-CHLORO-1,3-DIHYDRO-INDOL-2-ONE PFIZER INC. (US) 1996-04-17 EP disclosed
WO-1995000510-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 5-[2-(4-(BENZOISOTHIAZOL-3-YL)-PIPERAZIN-1-YL)ETHYL]-6-CHLORO-1,3-DIHYDRO-INDOL-2-ONE PFIZER INC. (US) 1995-01-05 WO disclosed
US-5359068-A Processes and intermediates for the preparation of 5-[2-(4-(benzoisothiazol-3-yl)-piperazin-1-yl)ethyl]-6-chloro-1,3-dihydro-indol-2-one PFIZER INC. (US) 1994-10-25 US disclosed