SCHEMBL9176758

SCHEMBL9176758

CCOc1nc(F)cc2nc(S(=O)(=O)Nc3nn(C)c4ccccc34)nn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.42
GNRHR P30968 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN9A Q15858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SCN5A Q14524 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9176684 0.88 ALDH1A1 (0.38) CCR4GNRHRKDM4ESCN9AALDH1A1
SCHEMBL6999983 0.80 TSHR (0.36) GNRHRKDM4EALDH1A1TSHRGAA
SCHEMBL9183848 0.79 CCR4 (0.47) CCR4KDM4EALDH1A1TSHRGAA
Diclosulam SCHEMBL116344 0.79 GNRHR (0.35) CCR4GNRHRLMNAALDH1A1TSHR
SCHEMBL8848572 0.76 GNRHR (0.34) CCR4GNRHRKDM4EALDH1A1TSHR
SCHEMBL8848603 0.74 WDR5 (0.42) LMNAHSD17B10ALDH1A1GAAMAPT
SCHEMBL6998020 0.74 GNRHR (0.32) GNRHRKDM4EALDH1A1MAPTHPGD
SCHEMBL8848901 0.74 LMNA (0.34) GNRHRLMNAKDM4EALDH1A1GAA
SCHEMBL4890265 0.73 WDR5 (0.39) CCR4ALDH1A1SMN1; SMN2
SCHEMBL8418196 0.72 FABP4 (0.32) GNRHRKDM4EALDH1A1TSHR

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-5447905-A Postemergence herbicides DOWELANCO (US) 1995-09-05 US disclosed