SCHEMBL10077333

SCHEMBL10077333

CC/C=C(/C)c1cccc2cc([N+](=O)[O-])cc(C=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ FTO Q9C0B1 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NGFR P08138 1/20 0.35
▸ GLO1 Q04760 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CLTC Q00610 2/20 0.33

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
SCHEMBL11505795 0.80 PTPN1 (0.47) ERN1TDP1TSHRMEN1KMT2A
SCHEMBL27528864 0.67 MAPK1 (0.56) TDP1TSHRMEN1KMT2AMAPT
SCHEMBL17348525 0.66 ERN1 (0.57) ERN1TDP1MEN1KMT2APOLB
SCHEMBL9669264 0.66 TDP1 (0.62) ERN1TDP1TSHRMEN1KMT2A
SCHEMBL11121651 0.65 HTT (0.44) ERN1POLBMAPTALDH1A1
SCHEMBL29903867 0.64 TSHR (0.58) TDP1TSHRFTOPABPC1MEN1
SCHEMBL10788183 0.64 TSHR (0.58) TDP1TSHRFTOPABPC1MEN1
SCHEMBL11428771 0.64 CLTC (0.50) TDP1TSHRMEN1KMT2APOLB
SCHEMBL11806980 0.62 NR4A1 (0.46) TDP1TSHRMEN1KMT2APOLB
SCHEMBL29607767 0.62 ERN1 (0.60) ERN1TDP1MEN1KMT2APOLB

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
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 — — EP disclosed
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