SCHEMBL6433058

SCHEMBL6433058

COc1ccc([N+](=O)[O-])cc1OC(=O)CN1CCNCCNCCNCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TNF P01375 1/20 0.44
HTR6 P50406 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL31377968 0.80 KDM4E (0.59) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL8715361 0.78 KCNJ1 (0.55) ALDH1A1KDM4ELMNAHPGDHIF1A
SCHEMBL17165001 0.77 KMT2A (0.58) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL8977449 0.76 HTT (0.56) ALDH1A1KMT2AMEN1PKMKDM4E
SCHEMBL8715563 0.73 HTR6 (0.65) ALDH1A1MAPTLMNAHIF1AHTT
SCHEMBL10572678 0.73 HIF1A (0.47) ALDH1A1KMT2AMEN1PKMKDM4E
SCHEMBL8977448 0.72 HTT (0.58) KMT2AMEN1PKMMAPTLMNA
SCHEMBL6606828 0.72 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1613091 0.72 HTR6 (0.66) ALDH1A1MAPTLMNAHIF1AHTT
SCHEMBL31267415 0.72 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTSMN1; 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
WO-2005049096-A2 PROTEIN AND POLYMER CONJUGATES AS CHELANTS WITH ENHANCED BLOOD RETENTION DOW GLOBAL TECHNOLOGIES INC. (US) 2005-06-02 WO disclosed