SCHEMBL11554607

SCHEMBL11554607

CC(C)(COC(=O)c1ccc[n+]([O-])c1)NCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 2/20 0.45
HTR1A P08908 1/20 0.45
SCN1A P35498 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN3A Q9NY46 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
GPR84 Q9NQS5 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.39
HIF1A Q16665 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
SCHEMBL14081920 0.85 KMT2A (0.51) KMT2AMEN1CYP2D6HTR1ASCN1A
SCHEMBL11553996 0.83 KMT2A (0.46) KMT2AMEN1CYP2D6HTR1ASCN1A
SCHEMBL11553030 0.82 KMT2A (0.45) KMT2AMEN1CYP2D6HTR1ASCN1A
SCHEMBL11555199 0.80 TDP1 (0.66) KMT2ACYP2D6HTR1ASCN1ASLC6A3
SCHEMBL4862698 0.77 GLA (0.57) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL2818943 0.75 ABL1 (0.67) KMT2AMEN1CYP2D6TDP1L3MBTL1
SCHEMBL14107746 0.75 LMNA (0.60) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL14081941 0.74 MEN1 (0.56) KMT2AMEN1CYP2D6TDP1L3MBTL1
Hydrochloric Acid SCHEMBL11553884 0.72 ALDH1A1 (0.55) KMT2AMEN1CYP2D6HTR1ASCN1A
SCHEMBL11553235 0.72 ALDH1A1 (0.51) KMT2AMEN1CYP2D6HTR1ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4092420-A Novel soft N-chloroamino alcohol derivatives exhibiting antibacterial activity INTERX RESEARCH CORPORATION (US) 1978-05-30 US claimed
US-4036843-A ANTIBACTERIAL INTERX RESEARCH CORPORATION (US) 1977-07-19 US claimed
US-4171452-A FUNGICIDES INTERX RESEARCH CORPORATION (US) 1979-10-16 US disclosed
US-4132805-A Novel soft N-chloroamino alcohol derivatives exhibiting antibacterial activity INTERX RESEARCH CORPORATION (US) 1979-01-02 US disclosed
US-4115588-A Antibacterial novel soft n-chloroamino alcohol derivatives INTERX RESEARCH CORPORATION (US) 1978-09-19 US disclosed
US-4092420-A Novel soft N-chloroamino alcohol derivatives exhibiting antibacterial activity INTERX RESEARCH CORPORATION (US) 1978-05-30 US disclosed
US-4036843-A ANTIBACTERIAL INTERX RESEARCH CORPORATION (US) 1977-07-19 US disclosed