SCHEMBL7477760

SCHEMBL7477760

COc1ccc(N2CCN(c3nsc4nc5ccccc5n34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GFER P55789 2/20 0.53
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
HSD11B1 P28845 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
DRD4 P21917 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
SCHEMBL7477865 0.86 MAPT (0.52) MAPTGAALMNATSHRTDP1
SCHEMBL7476028 0.83 MAPT (0.68) MAPTGAALMNATSHRTDP1
SCHEMBL7476811 0.82 HRH4 (0.49) HTR3A
Hydrochloric Acid SCHEMBL7479088 0.81 HRH4 (0.48) HTR3A
SCHEMBL7477347 0.81 ALDH1A1 (0.42) MAPTTSHRTDP1GFERALDH1A1
SCHEMBL7476332 0.80 ENPP1 (0.52) MAPTGAATSHRALDH1A1SMN1; SMN2
SCHEMBL7477890 0.79 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7472331 0.78 MEN1 (0.48) LMNATSHRFAAHMGLLALDH1A1
SCHEMBL7477431 0.78 KDM4E (0.45) MAPTGAALMNATSHRALDH1A1
SCHEMBL7479370 0.77 HTR3A (0.50) TDP1ALDH1A1KDM4EHTR3A

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