SCHEMBL9797271

SCHEMBL9797271

CCCCCCCCCCCCCCCCCCN(C)C(=O)C=C(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KCNH2 Q12809 1/20 0.46
MAPT P10636 5/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPK1 P28482 1/20 0.43
LSS P48449 2/20 0.43
MGLL Q99685 1/20 0.42
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL9796857 0.85 KCNH2 (0.46) ALDH1A1KCNH2MAPTHDAC3HDAC1
SCHEMBL9797310 0.77 LSS (0.46) ALDH1A1KCNH2LSSMGLLSMN1; SMN2
SCHEMBL9797265 0.76 KCNH2 (0.46) ALDH1A1KCNH2MAPTHDAC3HDAC1
SCHEMBL9797262 0.76 KCNH2 (0.46) ALDH1A1KCNH2MAPTHDAC3HDAC1
4-Nitrobenzoic Acid SCHEMBL32671588 0.76 TDP1 (0.58) ALDH1A1KCNH2MAPTHDAC3HDAC1
Dymanthine SCHEMBL31121223 0.76 TDP1 (0.58) ALDH1A1KCNH2MAPTHDAC3HDAC1
4-Nitrobenzoic Acid SCHEMBL31121220 0.76 TDP1 (0.58) ALDH1A1KCNH2MAPTHDAC3HDAC1
4-Nitrobenzoic Acid SCHEMBL31121240 0.76 TDP1 (0.58) ALDH1A1KCNH2MAPTHDAC3HDAC1
SCHEMBL9847396 0.75 KCNH2 (0.45) ALDH1A1KCNH2MAPTHDAC3HDAC1
4-Nitrobenzoic Acid SCHEMBL31121239 0.74 TDP1 (0.57) ALDH1A1KCNH2MAPTHDAC3HDAC1

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-4994363-A Silver halide light-sensitive material containing a compound releasing a photographically useful group FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed