SCHEMBL8697492

SCHEMBL8697492

CCC(C[N+]([O-])=Cc1ccccc1)C(=O)c1ccccc1SC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.38
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8700366 0.83 KDM4E (0.39) KMT2AMEN1GAAPOLBNPC1
SCHEMBL8696907 0.83 ERCC5 (0.38) KMT2AHPGDPOLBNPC1RAB9A
SCHEMBL8700373 0.81 AR (0.40) KMT2AMEN1HPGDPOLBNPC1
SCHEMBL8702479 0.81 KMT2A (0.42) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL8702066 0.80 KMT2A (0.32) KMT2AMEN1ALDH1A1
SCHEMBL8697830 0.78 KMT2A (0.41) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL8697105 0.77 MMP2 (0.41) KMT2AMEN1GAAHPGDPOLB
SCHEMBL8696621 0.76 G6PD (0.41) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL8700404 0.76 CES2 (0.36) KMT2AGAANPC1RAB9AALDH1A1
SCHEMBL8702048 0.76 MMP2 (0.40) KMT2AMEN1POLBMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998003479-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed
WO-1998003478-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed