SCHEMBL9603355

SCHEMBL9603355

C=CCSc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
PDE7A Q13946 1/20 0.40
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
HSPB1 P04792 2/20 0.35
IDO1 P14902 1/20 0.35
MAPK1 P28482 2/20 0.34
USP10 Q14694 1/20 0.34
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
DHFR P00374 1/20 0.34
POLB P06746 1/20 0.34
APOBEC3A P31941 1/20 0.34

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
SCHEMBL10985488 0.77 TDP1 (0.46) TDP1ATMPDE7AMAPTALDH1A1
SCHEMBL27225074 0.75 GSTP1 (0.54) TDP1ATMMAPTALDH1A1KMT2A
SCHEMBL29662268 0.74 ATM (0.58) TDP1ATMPDE7AMAPTALDH1A1
SCHEMBL1151368 0.74 ATM (0.58) TDP1ATMPDE7AMAPTALDH1A1
SCHEMBL310240 0.73 ATM (0.53) TDP1ATMPDE7AMAPTALDH1A1
SCHEMBL8595244 0.73 KMT2A (0.39) PDE7AMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL6687021 0.72 THRB (0.41) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL9443340 0.71 TSHR (0.45) TDP1PDE7AMAPTALDH1A1KMT2A
SCHEMBL26931230 0.71 TDP1 (0.50) TDP1ATMPDE7AMAPTALDH1A1
SCHEMBL8595123 0.71 EGFR (0.36) TDP1PDE7AMAPTALDH1A1KMT2A

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-5185025-A SUBSTITUTED PYRAZOLES AND THEIR USE AS HERBICIDES MONSANTO COMPANY (US) 1993-02-09 US disclosed
US-5045106-A 3-phenoxypyrazole MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0371947-A1 Substituted pyrazoles and their use as herbicides Monsanto Company (US) 1990-06-06 EP disclosed
EP-0370990-A1 Herbicidal substituted pyrazoles MONSANTO COMPANY (US) 1990-05-30 EP disclosed
EP-0295233-A2 Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides Monsanto Company (US) 1988-12-14 EP disclosed
US-4548640-A BROADLEAF WEEDS, SAFE FOR CROPS FMC CORPORATION (US) 1985-10-22 US disclosed