SCHEMBL7479641

SCHEMBL7479641

C(=Cc1ccccc1)CN1CCN(c2nsc3nc4ccccc4n23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.58
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
HTR1A P08908 2/20 0.48
HTR2C P28335 1/20 0.48
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
MAPK1 P28482 2/20 0.44
GMNN O75496 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL7479646 1.00 LMNA (0.58) LMNASMN1; SMN2NPSR1HTTFAAH
SCHEMBL7475871 0.85 LMNA (0.48) LMNASMN1; SMN2NPSR1HTTFAAH
SCHEMBL7475865 0.85 LMNA (0.48) LMNASMN1; SMN2NPSR1HTTFAAH
SCHEMBL7474757 0.81 HTR3A (0.52) LMNANPSR1FAAHMGLLALDH1A1
SCHEMBL7477890 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2HTTALDH1A1CYP1A2
SCHEMBL7477865 0.80 MAPT (0.52) LMNASMN1; SMN2NPSR1HTTFAAH
SCHEMBL7471997 0.78 KDM4E (0.49) LMNASMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL7478110 0.78 NPSR1 (0.49) LMNANPSR1ALDH1A1KDM4EGAA
SCHEMBL7477347 0.77 ALDH1A1 (0.42) SMN1; SMN2NPSR1ALDH1A1KDM4ETSHR
SCHEMBL7475121 0.76 POLB (0.45) TSHRMEN1KMT2AUSP2

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 6 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-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed