SCHEMBL7480580

SCHEMBL7480580

Nc1cccc(-c2nsc3nc4ccccc4n23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
KDM4E B2RXH2 10/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 8/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ESR2 Q92731 1/20 0.36
HPGD P15428 5/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL7473909 0.80 CTSD (0.47) KDM4EHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL7479438 0.78 CSNK1A1 (0.40) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7477004 0.76 KDM4E (0.51) KDM4EHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL7474031 0.76 DYRK1A (0.51) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7472319 0.74 METAP2 (0.43) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL8044065 0.72 HSD17B10 (0.47) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7480268 0.71 BRD4 (0.46) KDM4EHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL7475534 0.69 SMN1; SMN2 (0.47) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7007238 0.69 KDM4E (0.46) CSNK1A1CLK2LIMK1DYRK1ACLK4
SCHEMBL7470768 0.69 KDM4E (0.46) CSNK1A1CLK2LIMK1DYRK1ACLK4

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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN 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