SCHEMBL7308934

SCHEMBL7308934

[c]1nnc(NCCN2CCOCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.43
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL7308113 0.73 SIGMAR1 (0.41) KDM4EPOLBMAPK1SMN1; SMN2CNR1
SCHEMBL23647320 0.70 CASR (0.46) TDP1KDM4EGAAMAPTPKM
SCHEMBL7304554 0.70 ALDH1A1 (0.42) KDM4EMAPTPKMAPOBEC3GMAPK1
SCHEMBL11685688 0.69 ALDH1A1 (0.41) KDM4EGAASMN1; SMN2LMNACYP3A4
SCHEMBL949738 0.69 MEN1 (0.52) KDM4EMAPTPOLBSMN1; SMN2LMNA
SCHEMBL13763209 0.68 PIK3CG (0.56) KDM4EGAAMAPTPOLBMAPK1
SCHEMBL15943680 0.68 IDO1 (0.49) TDP1KDM4EGAAMAPTPKM
Hydrochloric Acid SCHEMBL10861172 0.67 ACHE (0.55) TDP1LMNACYP3A4ACHECYP1A2
SCHEMBL10860459 0.67 ALDH1A1 (0.53) TDP1KDM4EGAAMAPTPKM
SCHEMBL8465810 0.67 MEN1 (0.57) KDM4EMAPTPOLBMAPK1SMN1; 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-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed