SCHEMBL7804085

SCHEMBL7804085

O=[N+]([O-])c1ccc2cnn(CC3CCNC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.44
NPC1 O15118 1/20 0.41
CYP3A4 P08684 2/20 0.37
BRD4 O60885 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL3384221 0.87 GLS (0.50) GLSNPC1CYP3A4BRD4CYP1A2
SCHEMBL7804974 0.80 HTR7 (0.47) CYP3A4SLC6A4HTR3EHTR3BALDH1A1
SCHEMBL29375266 0.77 GLS (0.64) GLSNPC1BRD4ALDH1A1CYP1A2
SCHEMBL2429058 0.77 GLS (0.64) GLSNPC1BRD4ALDH1A1CYP1A2
SCHEMBL7805916 0.76 BRD4 (0.43) GLSNPC1BRD4ALDH1A1LMNA
SCHEMBL7798163 0.76 KDM1A (0.37) BRD4SLC6A4KDM1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL8033418 0.75 KDM1A (0.37) BRD4SLC6A4KDM1ASLC6A2SLC6A3
SCHEMBL3357749 0.75 ALDH1A1 (0.43) GLSCYP3A4SLC6A4HTR3EHTR3B
SCHEMBL5429188 0.74 GLS (0.60) GLSNPC1BRD4ALDH1A1LMNA
SCHEMBL9551797 0.73 GLS (0.55) GLSNPC1CYP3A4CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1510034-A Indazole compound, preparing method thereof and medicine composition containing the same ɪά��ʵ���� 2004-07-07 CN disclosed
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed