SCHEMBL7090504

SCHEMBL7090504

NC1CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.58
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.53
KDM1A O60341 9/20 0.51
ALDH1A1 P00352 2/20 0.50
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
CYP2C19 P33261 4/20 0.47
CYP2B6 P20813 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2A6 P11509 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL7090505 1.00 SLC9A1 (0.58) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL7864292 1.00 SLC9A1 (0.58) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL31406354 0.88 SLC9A1 (0.53) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL13691660 0.83 SLC9A1 (0.58) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL31406431 0.80 SLC9A1 (0.52) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL5778769 0.80 SLC9A1 (0.74) SLC9A1LMNATSHRALDH1A1MEN1
SCHEMBL31406299 0.79 SLC9A1 (0.64) SLC9A1LMNATSHRALDH1A1MEN1
SCHEMBL5774969 0.79 SLC9A1 (0.68) SLC9A1LMNATSHRKDM1AALDH1A1
SCHEMBL20656968 0.78 KDM1A (0.50) LMNAKDM1AALDH1A1MAOAMAOB
SCHEMBL20656970 0.78 KDM1A (0.50) LMNAKDM1AALDH1A1MAOAMAOB

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
CN-1154650-C Novel compounds ������˹ҩƷ��˾ 2004-06-23 CN disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
CN-1270590-A Novel compounds ASTRA PHARMA PROD (GB) 2000-10-18 CN disclosed