SCHEMBL9738404

SCHEMBL9738404

CC1(C)C(=O)C(C(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
VCAM1 P19320 1/20 0.32
FLT1 P17948 2/20 0.31
FLT4 P35916 2/20 0.31
KDR P35968 2/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9739114 0.89 HPD (0.38) HPDKDM4EALDH1A1KMT2AMEN1
SCHEMBL997958 0.88 HPD (0.39) HPDKDM4EALDH1A1KMT2AMEN1
SCHEMBL1860425 0.82 HPD (0.58) HPDKMT2AMEN1
SCHEMBL30177033 0.82 HPD (0.58) HPDKMT2AMEN1
SCHEMBL9738609 0.81 HPD (0.36) HPDKDM4EALDH1A1KMT2AMEN1
SCHEMBL14155650 0.80 TSHR (0.44) HPDALDH1A1MAPTHTTNPC1
SCHEMBL998546 0.79 HPD (0.39) HPDKDM4EALDH1A1KMT2AMEN1
SCHEMBL1132003 0.79 POLB (0.45) HPDALDH1A1FLT1FLT4KDR
SCHEMBL9740555 0.77 AKR1C3 (0.45) KDM4EALDH1A1MAPK1VCAM1MAPT
SCHEMBL9738984 0.77 KMT2A (0.33) KDM4EALDH1A1KMT2AMEN1MAPK1

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-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed