SCHEMBL9800768

SCHEMBL9800768

Cc1cc(NCCO)ncc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAP4K4 O95819 2/20 0.38
TYK2 P29597 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MINK1 Q8N4C8 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL5094428 0.85 KDM4E (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7028651 0.82 MAPT (0.43) MAPTRAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL9112617 0.77 TSHR (0.45) MAPTRAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL9112611 0.77 TSHR (0.45) MAPTRAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL6787246 0.77 PKM (0.57) MAPTRAB9AALDH1A1CYP1A2TDP1
SCHEMBL31441186 0.76 ALDH1A1 (0.46) MAPTRAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL29643004 0.76 CYP1A2 (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2019522 0.76 CYP1A2 (0.55) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15287099 0.75 MEN1 (0.38) MAPTRAB9AALDH1A1CYP1A2TDP1
SCHEMBL16507319 0.75 MEN1 (0.38) MAPTRAB9AALDH1A1CYP1A2TDP1

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
JP-3095159-A None JP disclosed
JP-H0395159-A 5-NITRO-2-SUBSTITUTED AMINOPYRIDINE DERIVATIVE AND ITS PRODUCTION KOEI CHEM CO LTD 1991-04-19 JP disclosed