SCHEMBL7474039

SCHEMBL7474039

N#CC(Br)(Br)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL13342069 0.82 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL1238391 0.77 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL11412213 0.77 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL29650409 0.77 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL11171434 0.75 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL5720331 0.74 L3MBTL1 (0.61) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL2068478 0.74 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL22472908 0.74 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
SCHEMBL14859517 0.74 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA
Acetonitrile SCHEMBL2818707 0.72 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed