SCHEMBL7477326

SCHEMBL7477326

c1ccc(CN2CCN(Cc3nsc4nc5ccccc5n34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
GRM2 Q14416 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 3/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL7475139 0.89 GRM2 (0.62) MEN1KMT2AALDH1A1GRM2HPGD
SCHEMBL7474510 0.87 KDM4E (0.48) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7477813 0.85 KDM4E (0.49) MEN1KMT2AGRM2KDM4EGAA
SCHEMBL7474757 0.85 HTR3A (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL7471278 0.85 KDM4E (0.58) MEN1KMT2AALDH1A1GRM2HPGD
SCHEMBL7474146 0.85 HPGD (0.59) ALDH1A1CYP2D6GRM2HPGDKDM4E
SCHEMBL7477867 0.83 MEN1 (0.56) MEN1KMT2AGRM2KDM4EGAA
SCHEMBL7477891 0.83 GRM2 (0.49) MEN1KMT2AALDH1A1HTR1AGRM2
SCHEMBL7475865 0.83 LMNA (0.48) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL7475871 0.83 LMNA (0.48) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO 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