SCHEMBL9322112

SCHEMBL9322112

NCCCCCCCCCCCCNC(=O)c1cccc(C(=O)NCCCCCCCCCCCCN)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
LMNA P02545 1/20 0.56
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 3/20 0.54
NAAA Q02083 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
SMYD3 Q9H7B4 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
NAMPT P43490 3/20 0.53

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
SCHEMBL20999952 1.00 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL9321159 1.00 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL284798 1.00 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL9321269 0.98 SMN1; SMN2 (0.67) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL12194127 0.94 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL17728228 0.94 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHDAC1HDAC3NAAA
SCHEMBL16151772 0.93 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHDAC1HDAC3HDAC4
SCHEMBL13447346 0.92 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHDAC1HDAC3NAAA
Hydrochloric Acid SCHEMBL16428996 0.91 SMN1; SMN2 (0.67) SMN1; SMN2LMNAHDAC1HDAC3HDAC4
SCHEMBL20116198 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHDAC1HDAC3NAAA

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-0387106-B1 Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO LTD (JP) 1994-02-02 EP disclosed
US-5019642-A Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO., LTD. (JP) 1991-05-28 US disclosed
EP-0387106-A1 Novel diamine compounds, production of the same and polyamideimide resins produced therefrom TOMOEGAWA PAPER CO. LTD. (JP) 1990-09-12 EP disclosed