SCHEMBL6428299

SCHEMBL6428299

CCCCNCCc1ccnc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MPO P05164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6428301 0.75 MAPT (0.35) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5844444 0.69 MAPT (0.37) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6428293 0.69 MAPT (0.38) MAPTKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL27766587 0.68 HTT (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6428300 0.68 MEN1 (0.31) MAPTKMT2AMEN1LMNAHTT
SCHEMBL8601080 0.67 HTT (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6403184 0.67 HCAR3 (0.40) MAPTKMT2AMEN1IDO1ALDH1A1
SCHEMBL8568162 0.67 MEN1 (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8558130 0.65 NOS2 (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8780888 0.65 KCNH2 (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed