SCHEMBL9807399

SCHEMBL9807399

O=[N+]([O-])c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.57
▸ GSK3B P49841 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ CNR1 P21554 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ PELI1 Q96FA3 1/20 0.47
▸ TTR P02766 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
SCHEMBL9807428 0.90 TSHR (0.50) GSK3AGSK3BALDH1A1TSHRTDP1
SCHEMBL3806617 0.83 HSD17B10 (0.63) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL6738366 0.82 TSHR (0.76) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL7953461 0.80 TSHR (0.58) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL6646630 0.80 ALDH1A1 (0.55) ALDH1A1TSHRTDP1LMNACNR1
Iodide SCHEMBL28598177 0.80 TSHR (0.73) ALDH1A1TSHRTDP1ALOX15LMNA
Iodide SCHEMBL30804629 0.80 TSHR (0.73) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL28471286 0.80 TSHR (0.73) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL11392466 0.80 TSHR (0.73) ALDH1A1TSHRTDP1ALOX15LMNA
SCHEMBL11392461 0.80 TSHR (0.73) ALDH1A1TSHRTDP1ALOX15LMNA

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
US-4994545-A Polyetherimide ETHYL CORPORATION (US) 1991-02-19 — — US disclosed
US-4990627-A Polyetherimides and their production ETHYL CORPORATION (US) 1991-02-05 — — US disclosed
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