SCHEMBL7477431

SCHEMBL7477431

c1cnc(N2CCN(c3nsc4nc5ccccc5n34)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CREBBP Q92793 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.39
DRD4 P21917 2/20 0.39
TNKS O95271 1/20 0.39
PIK3CG P48736 1/20 0.39
HTR1A P08908 1/20 0.39

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 0.87 TSHR (0.50) KDM4EMAPTTSHRHSD17B10NPC1
SCHEMBL7477865 0.85 MAPT (0.52) KDM4EMAPTTSHRHSD17B10LMNA
SCHEMBL7477347 0.85 ALDH1A1 (0.42) KDM4EMAPTTSHRHSD17B10NPC1
SCHEMBL7476811 0.84 HRH4 (0.49)
SCHEMBL7476440 0.83 GRIN2D (0.41) KDM4EMAPTTSHRHSD17B10CREBBP
Hydrochloric Acid SCHEMBL7479088 0.83 HRH4 (0.48)
SCHEMBL7477891 0.82 GRM2 (0.49) KDM4ETSHRLMNAMEN1KMT2A
SCHEMBL7479370 0.81 HTR3A (0.50) KDM4EHSD17B10ALDH1A1HTR1AHTR7
SCHEMBL7476332 0.81 ENPP1 (0.52) KDM4EMAPTTSHRNPC1RAB9A
SCHEMBL7477890 0.81 SMN1; SMN2 (0.47) MAPTLMNANPC1RAB9AKMT2A

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