SCHEMBL11147680

SCHEMBL11147680

CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(CC)C1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 4/20 0.44
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ MDM2 Q00987 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL11153568 0.83 XDH (0.63) TNFRSF1AMAPTALDH1A1KMT2AMEN1
SCHEMBL9618912 0.81 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL10532021 0.81 MEN1 (0.56) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL11142869 0.80 MAPT (0.51) TNFRSF1AMAPTALDH1A1KMT2AMEN1
SCHEMBL11146842 0.79 NR1H4 (0.60) TNFRSF1AMAPTALDH1A1KMT2AMEN1
SCHEMBL11284358 0.73 HPRT1 (0.44) KMT2AMEN1CYP1A2FAAHMGLL
SCHEMBL11285347 0.73 RPS6KA2 (0.45) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL11686903 0.72 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL11686919 0.72 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL11591438 0.72 KMT2A (0.41) MAPTALDH1A1KMT2AMEN1TDP1

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-4389477-A Photoconductive composition sensitized by a thiobarbituric acid derivative FUJI PHOTO FILM CO., LTD. (JP) 1983-06-21 — — US disclosed
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