SCHEMBL9358428

SCHEMBL9358428

O=C(NCCO)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ POLB P06746 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ TLR9 Q9NR96 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ BAZ1A Q9NRL2 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ DDX3X O00571 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44

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
SCHEMBL5478291 0.80 POLB (0.69) ALDH1A1KMT2AMEN1POLBRAB9A
Water SCHEMBL8927845 0.79 CYP1A2 (0.62) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL12911021 0.75 RAB9A (0.49) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL7918648 0.75 HTT (0.50) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL12927935 0.74 RAB9A (0.49) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL10573964 0.74 HSD17B10 (0.51) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL10573957 0.74 HSD17B10 (0.51) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL30049268 0.74 TLR9 (0.79) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL987760 0.74 TLR9 (0.79) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL9357972 0.74 HTT (0.60) ALDH1A1KMT2AMEN1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 — — EP claimed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 — — WO claimed
EP-0621962-A1 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-02 — — EP disclosed
US-5256784-A Merocyanine dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-26 — — US disclosed
WO-1993015596-A2 FUNCTIONALIZED MEROCYANINE DYES AND POLYMERS INCORPORATING SUCH DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-05 — — WO disclosed
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