SCHEMBL9829068

SCHEMBL9829068

CC(=O)CNC1(c2ccc(OCCCNC3(C)CCCCC3)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 4/20 0.32
HRH3 Q9Y5N1 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 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
Hydrochloric Acid SCHEMBL9828341 0.82 TP53 (0.31) MEN1KMT2ATP53MAPTLMNA
SCHEMBL9829070 0.82 PDE3B (0.36) TP53MAPT
Oxalic Acid SCHEMBL10674415 0.82 HRH3 (0.38) MEN1KMT2AHRH3L3MBTL1ALDH1A1
SCHEMBL9831087 0.78 CNR1 (0.37) MEN1KMT2AMAPTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL9829276 0.76 ALDH1A1 (0.35) MEN1KMT2AMAPTLMNAHRH3
SCHEMBL9831579 0.72 NQO2 (0.41) MEN1KMT2ATP53MAPTLMNA
Hydrochloric Acid SCHEMBL9828762 0.70 MEN1 (0.33) MEN1KMT2ATP53MAPTLMNA
SCHEMBL9829867 0.69 NQO2 (0.36) MEN1KMT2AMAPTL3MBTL1ALDH1A1
Oxalic Acid SCHEMBL9831201 0.69 DRD2 (0.35) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL9830047 0.68 SCN9A (0.34) MEN1KMT2AMAPTLMNATSHR

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
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed