Nitrogen

Nitrogen

SCHEMBL10786231

CCC(C)Nc1ccccc1Cl.N#N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.38
HTT P42858 1/20 0.37
ANPEP P15144 1/20 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
SCHEMBL29385988 0.82 TSHR (0.58) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4
SCHEMBL48533 0.82 TSHR (0.58) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4
SCHEMBL3228979 0.76 TDP1 (0.46) KCNQ2ALDH1A1SMN1; SMN2CYP3A4THRB
SCHEMBL14930874 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4
SCHEMBL13303751 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4
Ammonia Solution, Strong SCHEMBL3225266 0.74 NR4A2 (0.45) KCNQ2ALDH1A1SMN1; SMN2CYP3A4THRB
SCHEMBL28481705 0.74 KCNQ2 (0.50) KCNQ2ALDH1A1TAS1R3TAS1R1MAPT
SCHEMBL7132554 0.74 TAS1R3 (0.38) KCNQ2SMN1; SMN2TDP1L3MBTL1TAS1R3
SCHEMBL4229462 0.73 TSHR (0.48) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4
SCHEMBL6859975 0.73 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2TP53HSP90AA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080241-B1 DIAZOTYPE MATERIAL Océ-Nederland B.V. (NL) 1987-09-09 EP disclosed
US-4471043-A Diazotype material Oc/e/ -Nederland B.V. (NL) 1984-09-11 US disclosed
EP-0080241-A2 Diazotype material Océ-Nederland B.V. (NL) 1983-06-01 EP disclosed