SCHEMBL25791193

SCHEMBL25791193

N#CCc1cc(C#N)c([N+](=O)[O-])c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ GRIA1 P42261 2/20 0.37
▸ GRIA2 P42262 2/20 0.37
▸ GRIA3 P42263 2/20 0.37
▸ GRIA4 P48058 2/20 0.37

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
SCHEMBL15243639 0.79 VCAM1 (0.55) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL24787217 0.78 ALDH1A1 (0.40) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL10876444 0.76 VCAM1 (0.63) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL27179033 0.75 VCAM1 (0.50) VCAM1ALDH1A1HPGDTDP1POLB
SCHEMBL25786821 0.75 GRIN2D (0.47) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL11812967 0.70 ALDH1A1 (0.56) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL15334773 0.70 KDM4E (0.39) ALDH1A1TDP1L3MBTL1KDM4EHTT
SCHEMBL3237039 0.70 ALDH1A1 (0.46) VCAM1ALDH1A1HPGDMAPTTDP1
SCHEMBL25990710 0.70 CYP11B1 (0.42) TDP1KDM4ECYP11B1CYP11B2
SCHEMBL28649780 0.69 VCAM1 (0.49) VCAM1ALDH1A1HPGDMAPTTDP1

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-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 — — US disclosed
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