SCHEMBL31105684

SCHEMBL31105684

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccnc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.53
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 0.49
EIF2AK2 P19525 9/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA2 P47869 1/20 0.43
LMNA P02545 1/20 0.43
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL31105623 0.81 MAP3K14 (0.76) MAP3K14HTR2AHTR6EIF2AK2MAPT
SCHEMBL31105587 0.80 MAP3K14 (0.60) MAP3K14HTR2AHTR6EIF2AK2MAPT
SCHEMBL31105269 0.79 MAP3K14 (0.58) MAP3K14HTR2AHTR6EIF2AK2MAPT
SCHEMBL31105600 0.77 MAP3K14 (0.55) MAP3K14EIF2AK2CDK4CDK2
SCHEMBL31105763 0.77 EIF2AK2 (0.68) MAP3K14HTR6EIF2AK2MAPTMEN1
SCHEMBL30436194 0.76 CLK1 (0.61) MAP3K14GABRA1GABRG2GABRB3GABRA5
SCHEMBL28969707 0.76 CLK1 (0.61) MAP3K14GABRA1GABRG2GABRB3GABRA5
SCHEMBL14661005 0.76 EIF2AK2 (0.64) MAP3K14EIF2AK2MAPTMEN1ALDH1A1
SCHEMBL317795 0.76 HTR2A (0.46) MAP3K14HTR2AHTR6EIF2AK2MAPT
Bromide SCHEMBL27136469 0.74 MEN1 (0.61) MAP3K14HTR2AHTR6MAPTMEN1

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
CN-115974845-B Preparation method of Ornitinib intermediate 奥锐特药业股份有限公司 2024-09-20 CN disclosed