SCHEMBL9255655

SCHEMBL9255655

NCCN(CCN)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.59
LOXL2 Q9Y4K0 1/20 0.56
TSHR P16473 1/20 0.53
KCNJ1 P48048 2/20 0.47
IDO1 P14902 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL8957832 0.84 LOXL2 (0.58) KCNH2LOXL2TSHRIDO1
SCHEMBL16572121 0.83 KCNH2 (0.57) KCNH2LOXL2TSHRKCNJ1IDO1
SCHEMBL4274526 0.83 KCNH2 (0.56) KCNH2LOXL2TSHRKCNJ1IDO1
SCHEMBL335044 0.81 LOXL2 (0.69) KCNH2LOXL2TSHRKCNJ1IDO1
SCHEMBL9628232 0.81 KCNH2 (0.76) KCNH2LOXL2TSHRKCNJ1SIGMAR1
SCHEMBL3157762 0.81 KCNH2 (0.71) KCNH2LOXL2TSHRKCNJ1SIGMAR1
Bromide SCHEMBL11379599 0.80 LOXL2 (0.67) KCNH2LOXL2TSHRKCNJ1IDO1
SCHEMBL19874575 0.80 LOXL2 (0.67) KCNH2LOXL2TSHRKCNJ1IDO1
Ammonia Solution, Strong SCHEMBL21518028 0.80 LOXL2 (0.67) KCNH2LOXL2TSHRKCNJ1IDO1
Hydrochloric Acid SCHEMBL115247 0.80 LOXL2 (0.67) KCNH2LOXL2TSHRKCNJ1IDO1

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
EP-0653941-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1995-05-24 EP disclosed
WO-1994000145-A1 TARGETED DELIVERY OF GROWTH FACTORS FOR BONE REGENERATION THE DOW CHEMICAL COMPANY (US) 1994-01-06 WO disclosed