SCHEMBL9808564

SCHEMBL9808564

Cc1cccnc1-n1ccnc1SCc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
ALOX15B O15296 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9667560 0.80 L3MBTL1 (0.50) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9808773 0.79 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802782 0.77 CYP1A2 (0.60) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9802713 0.75 CYP1A2 (0.49) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24945135 0.74 L3MBTL1 (1.00) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9808604 0.74 CYP1A2 (0.34) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9666081 0.70 ALDH1A1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8501020 0.67 CYP3A4 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24263523 0.66 NPSR1 (0.43) L3MBTL1CYP2C9CYP2C19RAB9AKMT2A
SCHEMBL30452763 0.66 NPSR1 (0.43) L3MBTL1CYP2C9CYP2C19RAB9AKMT2A

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-5053417-A Antiulcer agents TANABE SEIYAKU CO., LTD. (JP) 1991-10-01 US disclosed
US-4996217-A Antiulcer agents TANABE SEIYAKU COMPANY, LTD. (JP) 1991-02-26 US disclosed