SCHEMBL8616050

SCHEMBL8616050

CCOC(=O)C(C#N)=Cc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 9/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
PTP4A1 Q93096 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL8616046 1.00 MIF (0.43) MIFATMALDH1A1MEN1KMT2A
SCHEMBL8616605 0.80
SCHEMBL8616600 0.80
SCHEMBL8616614 0.80 TSHR (0.31)
SCHEMBL8621262 0.79
SCHEMBL8617285 0.79 CRHR1 (0.31)
SCHEMBL8617289 0.79 CRHR1 (0.31)
SCHEMBL8784977 0.78 RORC (0.31)
SCHEMBL8784974 0.78 RORC (0.31)
SCHEMBL9857284 0.77 BAZ2B (0.41) ALDH1A1KMT2AMAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 CN disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed