SCHEMBL7475871

SCHEMBL7475871

C(=Cc1ccccc1)CN1CCN(Cc2nsc3nc4ccccc4n23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2C P28335 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GMNN O75496 1/20 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
SCHEMBL7475865 1.00 LMNA (0.48) LMNASMN1; SMN2HTTNPSR1FAAH
SCHEMBL7479641 0.85 LMNA (0.58) LMNASMN1; SMN2HTTNPSR1FAAH
SCHEMBL7479646 0.85 LMNA (0.58) LMNASMN1; SMN2HTTNPSR1FAAH
SCHEMBL7477326 0.83 MEN1 (0.52) LMNASMN1; SMN2FAAHMGLLALDH1A1
SCHEMBL7475139 0.82 GRM2 (0.62) LMNASMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL7474510 0.80 KDM4E (0.48) LMNASMN1; SMN2HTTKMT2AMEN1
SCHEMBL7477813 0.78 KDM4E (0.49) LMNASMN1; SMN2HTTNPSR1KMT2A
SCHEMBL7471278 0.78 KDM4E (0.58) LMNASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL7474146 0.78 HPGD (0.59) LMNASMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL7477891 0.76 GRM2 (0.49) LMNASMN1; SMN2NPSR1ALDH1A1KMT2A

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 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
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed