SCHEMBL9255201

SCHEMBL9255201

NCCNCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CHRM2 P08172 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.53
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KCNJ1 P48048 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
IDO1 P14902 1/20 0.47
CDC25C P30307 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL9255649 0.98 KCNH2 (0.61) KCNH2CA1CA2CA12CA4
SCHEMBL5093330 0.92 CHRM2 (0.61) KCNH2CA1CA2CA12CA4
SCHEMBL9628053 0.91 KCNH2 (0.73) KCNH2CA1CA2CA12CA4
SCHEMBL21404874 0.91 CHRM2 (0.60) KCNH2CA1CA2CA12CA4
Hydrochloric Acid SCHEMBL5099421 0.90 CHRM2 (0.59) KCNH2CA1CA2CA12CA4
SCHEMBL6575468 0.85 CHRM2 (0.76) KCNH2CA1CA2CA12CA4
SCHEMBL30814822 0.85 CHRM2 (0.76) KCNH2CA1CA2CA12CA4
SCHEMBL1520064 0.84 CHRM2 (0.75) KCNH2CA1CA2CA12CA4
SCHEMBL28487383 0.84 MEN1 (0.75) KCNH2CA1CA2CA12CA4
Hydrochloric Acid SCHEMBL8895503 0.83 CHRM2 (0.73) KCNH2CA1CA2CA12CA4

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
WO-2009115644-A1 LANTHANIDE(III) CHELATES COMPRISING BETA-DIKETONES AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-09-24 WO disclosed
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