SCHEMBL7477004

SCHEMBL7477004

c1ccc(-c2nsc3nc4ccccc4n23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 4/20 0.51
TYMS P04818 1/20 0.48
MAOA P21397 2/20 0.46
HSD17B10 Q99714 7/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE6D O43924 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
LMNA P02545 4/20 0.43
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7479179 0.83 KMT2A (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7477705 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7474969 0.80 DRD2 (0.54) KDM4EALDH1A1HPGDMAOAHSD17B10
SCHEMBL8044065 0.79 HSD17B10 (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7473909 0.78 CTSD (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7480580 0.76 CSNK1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10ESR2
SCHEMBL7475534 0.76 SMN1; SMN2 (0.47) KDM4EALDH1A1HPGDTYMSHSD17B10
SCHEMBL7474031 0.76 DYRK1A (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7007238 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7470768 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10POLB

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-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed