SCHEMBL8328188

SCHEMBL8328188

[CH2]COCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KCNH2 Q12809 7/20 0.49
KCNJ1 P48048 3/20 0.49
IDO1 P14902 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 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
SCHEMBL3656180 0.89 TSHR (0.62) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL4586246 0.84 TSHR (0.56) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL7049974 0.82 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL4586250 0.82 TSHR (0.65) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL7758238 0.82 TSHR (0.55) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL7057603 0.81 TSHR (0.58) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL3157211 0.81 IDO1 (0.61) TSHRIDO1LOXL2AKR1C3ALDH1A1
SCHEMBL1165330 0.79 TSHR (0.51) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL839828 0.79 TSHR (0.64) TSHRKCNH2KCNJ1IDO1LOXL2
SCHEMBL7931694 0.78 IDO1 (0.53) TSHRIDO1AKR1C3ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866700-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed