SCHEMBL11683094

SCHEMBL11683094

COC(=O)c1ccc(C(=O)Nc2ccc(Oc3cc(Cl)c(Cl)cc3Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11690054 0.90 TDP1 (0.57) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL11683221 0.88 BRAF (0.53) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL11683829 0.84 ALDH1A1 (0.60) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL5533137 0.84 MEN1 (0.57) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL10792602 0.81 TDP1 (0.78) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL1679963 0.78 TDP1 (0.64) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL1679893 0.78 TDP1 (0.71) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL10246421 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9677406 0.74 TDP1 (0.83) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL27193219 0.74 MAPT (0.52) TDP1MEN1KMT2AALDH1A1LMNA

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
US-4056522-A PIGMENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4056553-A INTERMEDIATES FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed