SCHEMBL7471965

SCHEMBL7471965

O=C(c1nsc2nc3ccccc3n12)N1CCN(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 4/20 0.56
TSHR P16473 2/20 0.56
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
SLC6A7 Q99884 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RCE1 Q9Y256 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7479275 0.82 TSHR (0.50) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL7474094 0.81 HRH4 (0.48) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL27512535 0.79 SIGMAR1 (0.46)
SCHEMBL7477902 0.78 GRM2 (0.64) ALDH1A1HSD17B10TSHRKDM4EMAPK1
SCHEMBL7472884 0.76 FAAH (0.51) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL7479423 0.75 KDM4E (0.46) ALDH1A1HSD17B10KMT2AMEN1POLB
SCHEMBL7483925 0.72 KDM4E (0.43) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL8034975 0.71 KDM4E (0.42) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL7486338 0.71 KDM4E (0.47) ALDH1A1HSD17B10TSHRKMT2AMEN1
SCHEMBL5714681 0.71 ALDH1A1 (0.70) ALDH1A1HSD17B10KMT2AMEN1KDM4E

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 10 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
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