SCHEMBL7968404

SCHEMBL7968404

Cc1cc(N2CCCC2)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 10/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 5/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27038860 0.89 KMT2A (0.45) LMNAALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL30323078 0.85 ALDH1A1 (0.43) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL22712250 0.85 ALDH1A1 (0.43) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL27834267 0.85 ALDH1A1 (0.39) POLBLMNAALDH1A1L3MBTL1MAPK1
SCHEMBL12518736 0.84 KCNH2 (0.47) POLBLMNAALDH1A1L3MBTL1MAPT
SCHEMBL12518762 0.80 KCNH2 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL13156601 0.79 KCNH2 (0.52) POLBLMNAALDH1A1MAPK1MAPT
SCHEMBL13719244 0.76 BTK (0.52)
SCHEMBL13719245 0.76 BTK (0.52)
SCHEMBL13719594 0.74 MEN1 (0.37) POLBLMNAALDH1A1L3MBTL1MAPT

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-6187778-B1 EATING AND CARDIOVASCULAR DISORDERS PFIZER INC. 2001-02-13 US disclosed
EP-1003744-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2000-05-31 EP disclosed
WO-1999007703-A1 4-AMINOPYRROLE(3,2-d) PYRIMIDINES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 1999-02-18 WO disclosed