SCHEMBL8480845

SCHEMBL8480845

Nc1nnc(SCCN2CCCCC2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
GRIN2A Q12879 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
FBP1 P09467 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8481972 0.91 GRIN2B (0.59) GRIN2BL3MBTL1ATMGRIN2AALDH1A1
SCHEMBL11663107 0.88 ALOX15 (0.47) GRIN2BL3MBTL1ATMALOX15ALDH1A1
Hydrochloric Acid SCHEMBL11654776 0.86 ALOX15 (0.46) GRIN2BL3MBTL1ATMALOX15ALDH1A1
SCHEMBL6375003 0.84 GRIN2B (0.55) GRIN2BATMGRIN2AALDH1A1MEN1
SCHEMBL8583074 0.83 ATM (0.61) GRIN2BL3MBTL1ATMALDH1A1GAA
Hydrochloric Acid SCHEMBL7331599 0.77 GRIN2B (0.54) GRIN2BL3MBTL1GRIN2AALDH1A1MEN1
SCHEMBL15362563 0.76 ALDH1A1 (0.68) L3MBTL1ALDH1A1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL7323559 0.76 GRIN2B (0.71) GRIN2BL3MBTL1GRIN2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL7320117 0.75 GRIN2B (0.52) GRIN2BGRIN2AMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7329252 0.73 GRIN2B (0.55) GRIN2BL3MBTL1GRIN2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62153276-A None JP disclosed
US-5912258-A ANTISECRETORY AGENTS; GASTROINTESTINAL DISORDERS SHISEIDO CO., LTD. (JP) 1999-06-15 US disclosed
JP-S62153276-A NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLIC COMPOUND AND PRODUCTION THEREOF YAMANOUCHI PHARMACEUT CO LTD 1987-07-08 JP disclosed