SCHEMBL7472082

SCHEMBL7472082

BrC(Br)(c1ccccn1)c1nsc2nc3ccccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 6/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL8672672 0.81 MEN1 (0.39) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7473909 0.73 CTSD (0.47) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7007238 0.71 KDM4E (0.46) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7476136 0.71 KMT2A (0.41) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7475747 0.71 KDM4E (0.43) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7479423 0.69 KDM4E (0.46) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7481507 0.69 KDM4E (0.53) SMN1; SMN2MEN1KMT2AMAPTRAB9A
SCHEMBL7473543 0.68 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL8044065 0.68 HSD17B10 (0.47) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL7475534 0.68 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPTNPC1

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 7 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
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