SCHEMBL7013577

SCHEMBL7013577

NC(=O)c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ CTSD P07339 1/20 0.38
▸ CASP6 P55212 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL7560618 0.84 TSHR (0.46) LMNAALDH1A1MAPTCYP3A4KMT2A
SCHEMBL6070445 0.78 SIRT6 (0.43) LMNAALDH1A1MAPTCYP3A4BLM
SCHEMBL28683195 0.77 TSHR (0.34) LMNAALDH1A1MAPTCYP3A4KMT2A
SCHEMBL29287448 0.75 MAPT (0.38) ALDH1A1MAPTCYP3A4BLMPMP22
SCHEMBL1028967 0.75 TDP1 (0.50) LMNAALDH1A1MAPTCYP3A4KMT2A
SCHEMBL57882 0.74 TSHR (0.40) ALDH1A1MAPTCYP3A4KMT2ATSHR
SCHEMBL12970754 0.74 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4BLMPMP22
SCHEMBL115478 0.73 CTSD (0.65) LMNAALDH1A1MAPTCYP3A4KMT2A
SCHEMBL1028675 0.73 GPR35 (0.47) LMNAALDH1A1MAPTCYP3A4PMP22
SCHEMBL2783828 0.73 TDP1 (0.48) LMNAALDH1A1MAPTCYP3A4KMT2A

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
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 — — EP disclosed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 — — WO disclosed
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