SCHEMBL9353447

SCHEMBL9353447

Cc1n[nH]c([N+](=O)[O-])c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 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
SCHEMBL12334710 0.78 CCNE2 (0.37) ALDH1A1MAPT
SCHEMBL10420191 0.78 DYRK1A (0.42) TDP1ALDH1A1KDM4EPKMADORA2A
SCHEMBL2457899 0.77 MAPT (0.33) MAPT
SCHEMBL6684736 0.77 ADORA2A (0.42) TDP1ALDH1A1KDM4EPKMADORA2A
SCHEMBL2542592 0.75 MEN1 (0.39) TDP1ALDH1A1KDM4EADORA2AADORA2B
Potassium SCHEMBL31289361 0.75 LMNA (0.33) MAPT
Ammonia Solution, Strong SCHEMBL28953858 0.75 MAPT (0.33) MAPT
SCHEMBL9761190 0.75 TSHR (0.37) TDP1ALDH1A1PKMTSHRMAPT
SCHEMBL27825850 0.75 MAPT (0.33) MAPT
SCHEMBL9762532 0.75 ALDH1A1 (0.31) ALDH1A1

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-0618904-A1 NOVEL N-PHENYL AMINO PYRAZOLE DERIVATIVES AND MEANS AND PROCESS FOR COLOURING HAIR Wella Aktiengesellschaft (DE) 1994-10-12 EP disclosed
WO-1994008971-A1 NOVEL N-PHENYL AMINO PYRAZOLE DERIVATIVES AND MEANS AND PROCESS FOR COLOURING HAIR WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed