SCHEMBL7366019

SCHEMBL7366019

Cc1ccc(-c2ncccc2C(=O)O)c(CO)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MYC P01106 1/20 0.36
POLB P06746 3/20 0.36
ESR2 Q92731 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 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
SCHEMBL7366374 0.86 KDM4E (0.46) KDM4ETDP1HTTTSHRALDH1A1
SCHEMBL7364363 0.82 KDM4E (0.51) KDM4ETDP1HTTTSHRALDH1A1
SCHEMBL7370854 0.80 KDM4E (0.49) KDM4ETDP1TSHRALDH1A1MAPT
SCHEMBL7369401 0.77 KDM4E (0.46) KDM4ETDP1HTTALDH1A1MAPT
SCHEMBL7365914 0.76 KDM4E (0.61) KDM4ETDP1TSHRALDH1A1MAPT
SCHEMBL7363319 0.71 KDM4E (0.54) KDM4ETDP1HPGDTSHRALDH1A1
SCHEMBL7365254 0.71 KDM4E (0.54) KDM4ETDP1TSHRALDH1A1MAPT
SCHEMBL7365354 0.71 TDP1 (0.50) KDM4ETDP1HTTTSHRALDH1A1
SCHEMBL7362874 0.71 KDM4E (0.50) KDM4ETDP1HTTHPGDTSHR
SCHEMBL10887978 0.71 KDM4E (0.57) KDM4ETDP1HTTTSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed