SCHEMBL7804091

SCHEMBL7804091

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.60
NPC1 O15118 1/20 0.45
KMO O15229 4/20 0.43
MAPT P10636 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NOS1 P29475 1/20 0.38
CNR1 P21554 2/20 0.38
ACHE P22303 2/20 0.38
CNR2 P34972 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TDP2 O95551 1/20 0.36
NTRK1 P04629 1/20 0.36
CDC7 O00311 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
SCHEMBL22502262 0.86 GLS (0.56) GLSNPC1KMOMAPTHTR2A
SCHEMBL7803875 0.86 GLS (0.56) GLSNPC1KMOMAPTHTR2A
SCHEMBL22126712 0.83 GLS (0.59) GLSNPC1KMOMAPTHTR2A
SCHEMBL14923499 0.83 GLS (0.59) GLSNPC1KMOMAPTHTR2A
SCHEMBL30833705 0.83 GLS (0.59) GLSNPC1KMOMAPTHTR2A
SCHEMBL29190623 0.83 GLS (0.59) GLSNPC1KMOMAPTHTR2A
SCHEMBL6069456 0.83 GLS (0.53) GLSNPC1KMOMAPTCNR1
SCHEMBL3781560 0.83 GLS (0.53) GLSNPC1KMOMAPTLMNA
SCHEMBL20770037 0.80 GLS (0.55) GLSNPC1KMOMAPTLMNA
SCHEMBL9551797 0.80 GLS (0.55) GLSNPC1KMOMAPTHTR2A

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