SCHEMBL1719660

SCHEMBL1719660

CCC1=C(C(=O)OC)C(c2ccccc2[N+](=O)[O-])C(C(=O)OC)=CN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1C Q13936 7/20 0.58
▸ ADORA3 P0DMS8 6/20 0.58
▸ CYP1A2 P05177 5/20 0.58
▸ CACNA1D Q01668 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ CYP2C19 P33261 4/20 0.58
▸ CACNA1F O60840 3/20 0.58
▸ CACNA1S Q13698 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ NFKB1 P19838 3/20 0.58
▸ ABCC4 O15439 2/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ ADORA2A P29274 2/20 0.58
▸ ADORA1 P30542 2/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ SCN1A P35498 2/20 0.58

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
SCHEMBL7951620 0.85 CACNA1C (0.71) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL3760266 0.81 ALDH1A1 (0.64) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL10471030 0.76 CACNA1C (0.56) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL7474471 0.76 CACNA1C (0.46) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL13859625 0.75 ALDH1A1 (0.57) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL1357406 0.74 KDM4E (0.60) CACNA1CADORA3CYP1A2CACNA1DMAPT
Nifedipine SCHEMBL2156554 0.74 ADORA3 (0.90) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL29446574 0.74 KDM4E (0.60) CACNA1CADORA3CYP1A2CACNA1DMAPT
SCHEMBL7380823 0.74 ADORA3 (0.80) CACNA1CADORA3CYP1A2CACNA1DMAPT
Nifedipine SCHEMBL3968 0.73 ADORA3 (1.00) CACNA1CADORA3CYP1A2CACNA1DMAPT

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
EP-1205804-B1 Photosensitive resin composition and circuit board NITTO DENKO CORP (JP) 2012-01-11 — — EP disclosed
EP-1205804-A2 Photosensitive resin composition and circuit board NITTO DENKO CORPORATION (JP) 2002-05-15 — — EP disclosed
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