SCHEMBL10695799

SCHEMBL10695799

COC(=O)Cc1cn(CCC[N+](=O)[O-])c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.49
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.48
TBXAS1 P24557 1/20 0.39
IDO1 P14902 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL10696255 0.84 ICMT (0.53) ICMTCNR2CNR1TBXAS1IDO1
SCHEMBL10696568 0.84 ICMT (0.53) ICMTCNR2CNR1TBXAS1IDO1
SCHEMBL10696636 0.84 ICMT (0.53) ICMTCNR2CNR1TBXAS1IDO1
SCHEMBL10693439 0.78 CNR2 (0.48) ICMTCNR2CNR1TBXAS1IDO1
SCHEMBL20604920 0.78 KDM4E (0.47) ICMTCNR2CNR1MAPTAKR1C3
SCHEMBL22439157 0.73 ICMT (0.48) ICMTCNR2CNR1IDO1
SCHEMBL8181363 0.71 MAPT (0.39) MAPTPKM
SCHEMBL11893459 0.71 CNR2 (0.67) ICMTCNR2CNR1
SCHEMBL27774870 0.71 CNR2 (0.48) ICMTCNR2CNR1TBXAS1IDO1
SCHEMBL9236079 0.71 CDC25A (0.70) ICMTCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed
EP-0252404-A2 5-Hydroxy-3-indoleacetic acid fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 EP disclosed