SCHEMBL11451900

SCHEMBL11451900

CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CYP3A4 P08684 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ VCAM1 P19320 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PDE1B Q01064 1/20 0.43

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
SCHEMBL11024486 0.86 LMNA (0.49) S1PR4LMNARAB9ACYP3A4TDP1
SCHEMBL22408944 0.84 ALDH1A1 (0.47) S1PR4LMNARAB9ACYP3A4ALDH1A1
SCHEMBL11294647 0.83 CA9 (0.59) S1PR4LMNARAB9ACYP3A4TDP1
SCHEMBL11595542 0.82 CA1 (0.52) S1PR4LMNARAB9ACYP3A4TDP1
SCHEMBL11068177 0.82 ALDH1A1 (0.48) S1PR4LMNARAB9ATDP1ALDH1A1
SCHEMBL11675997 0.81 S1PR4 (0.58) S1PR4LMNARAB9ACYP3A4TDP1
SCHEMBL9748282 0.80 CYP3A4 (0.49) S1PR4LMNARAB9ACYP3A4TDP1
SCHEMBL11773684 0.80 MAPK1 (0.47) S1PR4LMNARAB9ATDP1ALDH1A1
SCHEMBL11676296 0.79 POLB (0.49) S1PR4LMNARAB9ACYP3A4TDP1
Hydrochloric Acid SCHEMBL10892666 0.79 ALOX15 (0.50) S1PR4LMNARAB9ACYP3A4ALDH1A1

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
US-4217271-A Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 — — US disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 — — US disclosed
US-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 — — US disclosed
US-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 — — US disclosed
Send feedback