SCHEMBL30739950

SCHEMBL30739950

CCNC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
VCAM1 P19320 2/20 0.43
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
PRKCZ Q05513 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
SCHEMBL30739707 0.89 ALDH1A1 (0.46) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL7217888 0.83 TDP1 (0.41) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL7219537 0.83 MEN1 (0.44) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL28316805 0.83 TDP1 (0.46) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL28316735 0.82 ALDH1A1 (0.48) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL29241526 0.80 TDP1 (0.43) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL5725938 0.78 TDP1 (0.58) TDP1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL4695615 0.77 TDP1 (0.53) TDP1MEN1KMT2AMAPTCYP3A4
SCHEMBL4497059 0.77 ALDH1A1 (0.68) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL912772 0.76 TDP1 (0.60) TDP1MEN1KMT2AMAPTLMNA

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed