SCHEMBL8534445

SCHEMBL8534445

CCN(C=Cc1ccccc1[N+](=O)[O-])CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.51
CYP19A1 P11511 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
PTBP1 P26599 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SOS1 Q07889 1/20 0.49
STAT3 P40763 1/20 0.48
MAOB P27338 1/20 0.48
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8534442 1.00 ALDH1A1 (0.54) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL24464120 0.86 ALDH1A1 (0.52) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL8530147 0.81 MAPT (0.56) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL420971 0.81 MAPT (0.56) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL11034340 0.81 MAPT (0.53) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL11034335 0.81 MAPT (0.53) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL1031259 0.79 ALDH1A1 (0.56) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL9978289 0.78 MAPT (0.69) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL14935499 0.78 MAPT (0.69) ALDH1A1MAPTCYP19A1KMT2AMEN1
SCHEMBL11049170 0.78 MAPT (0.69) ALDH1A1MAPTCYP19A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489547-B1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LTD (GB) 1998-07-29 EP disclosed
US-5280125-A Chemical process for the preparation of 3-alkylated indole IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0489547-A1 A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof ZENECA LIMITED (GB) 1992-06-10 EP disclosed
US-4264775-A BY DIAZOTIZATION OF ANILINES, REACTING WITH A VINYL ESTER, AND REACTING WITH A SECONDARY AMINE ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed