SCHEMBL9639429

SCHEMBL9639429

[O-][S+](CN1CCOCC1)c1nc2cc(Cl)cnc2s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.34
ADORA1 P30542 6/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 2/20 0.32
ACHE P22303 1/20 0.32
CYP2A13 Q16696 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9215779 0.79 PDK1 (0.38) ADORA2AADORA1POLBRAB9ANPC1
SCHEMBL24329826 0.72 RAB9A (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9216935 0.72 TMEM97 (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9211319 0.71 MYC (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL9206730 0.71
SCHEMBL9639426 0.70
SCHEMBL9214629 0.70 GAA (0.40) POLBKMT2ARAB9ANPC1TSHR
SCHEMBL9743920 0.70 TMEM97 (0.44) MEN1POLBCLK1KMT2AACHE
SCHEMBL9743934 0.67 CLK1 (0.52) MEN1POLBCLK1KMT2ARAB9A
SCHEMBL19341416 0.65 KMT2A (0.34) KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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