SCHEMBL10901702

SCHEMBL10901702

Cc1ccc(-n2ccnc2CO)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 3/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
CYP19A1 P11511 1/20 0.38
AGTR1 P30556 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 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
SCHEMBL10902660 0.87 MAPT (0.45) ALDH1A1HTTKDM4ELMNATSHR
Hydrochloric Acid SCHEMBL10904466 0.86 MAPT (0.44) ALDH1A1HTTKDM4ELMNATSHR
SCHEMBL3746738 0.78 PDE4A (0.46) ALDH1A1HTTKDM4EPDE4APDE4B
SCHEMBL9700828 0.74 ALDH1A1 (0.50) ALDH1A1HTTKDM4EPDE4APDE4B
SCHEMBL27450288 0.73 PDE4A (0.54) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL10902263 0.69 MAPT (0.47) ALDH1A1TSHRCYP3A4RECQLCYP19A1
SCHEMBL27853895 0.69 MAPT (0.48) ALDH1A1KDM4ELMNATSHRCYP3A4
SCHEMBL715634 0.68 ALDH1A1 (0.57) ALDH1A1HTTLMNATSHRCYP3A4
SCHEMBL10904448 0.67 TP53 (0.45) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL9615636 0.67 KMT2A (0.48) ALDH1A1HTTPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602031-A Anti-depressant imidazoles, compositions and use EISAI CO., LTD. (JP) 1986-07-22 US disclosed
US-4533669-A NONTOXIC EISAI CO., LTD. (JP) 1985-08-06 US disclosed
US-4402966-A Acylaminophenyl imidazoles and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1983-09-06 US disclosed
US-4301169-A Novel imidazole compound and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1981-11-17 US disclosed