SCHEMBL9813060

SCHEMBL9813060

c1ccc(SCN2CC[N]CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 2/20 0.39
FKBP1A P62942 1/20 0.39
LMNA P02545 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HPGD P15428 1/20 0.38
GRIN2B Q13224 1/20 0.37
USP2 O75604 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
SCHEMBL3920722 0.82 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1930719 0.80 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11272257 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9813058 0.77 SIGMAR1 (0.53) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9813063 0.77 SIGMAR1 (0.53) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL41501 0.69 SIGMAR1 (0.71) KMT2ALMNA
SCHEMBL15577550 0.68 FKBP1A (0.42) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7352120 0.67 GAA (0.65) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6619692 0.67 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL662989 0.67 SLC6A3 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP claimed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 EP claimed
EP-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP disclosed
EP-0266549-A1 Cinnamyl amines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-05-11 EP disclosed