SCHEMBL9209880

SCHEMBL9209880

[O-][S+](CCCCc1nnnn1C1CCCCC1)c1nc2cccnc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
P2RY12 Q9H244 1/20 0.40
ALDH1A1 P00352 8/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ABCC4 O15439 1/20 0.38
CACNA1F O60840 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9218091 0.88 ALDH1A1 (0.39) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL9207952 0.82 POLB (0.34) SMN1; SMN2
SCHEMBL9219349 0.80 HTR1A (0.42) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL9213963 0.74 ALDH1A1 (0.43) HTR1ADRD2HTR2AALDH1A1TSHR
SCHEMBL10468258 0.70 HTR1A (0.45) HTR1ADRD2HTR2APDE3BPDE3A
SCHEMBL9209770 0.70 NPC1 (0.50) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9217634 0.70 POLB (0.38) ALDH1A1SMN1; SMN2GAA
SCHEMBL9207415 0.68 DRD2 (0.38) HTR1ADRD2HTR2A
SCHEMBL9210123 0.67 PDK1 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
SCHEMBL9215626 0.67 CHRNB4 (0.42)

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-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed