SCHEMBL5493053

SCHEMBL5493053

O=c1ccc(-c2ccc(Cl)cc2)nn1CC#CCF

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8442721 0.89 TSHR (0.48) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL5493675 0.86 TSHR (0.56) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL8305027 0.81 TSHR (0.48) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL5497539 0.80 MEN1 (0.54) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL23297284 0.76 MEN1 (0.60) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL23297339 0.73 MEN1 (0.57) TSHRKDM4EMEN1KMT2APOLB
SCHEMBL23297325 0.73 MEN1 (0.57) TSHRKDM4EMEN1KMT2APOLB
SCHEMBL23297286 0.72 POLB (0.63) TSHRMEN1KMT2AHSD17B10POLB
SCHEMBL8300688 0.72 MAPT (0.45) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL25969306 0.71 TSHR (0.66) TSHRKDM4EMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP claimed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP claimed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US claimed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO claimed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP claimed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US claimed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP claimed
EP-1553831-A4 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2007-11-07 EP disclosed
EP-1553831-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS Dow Agrosciences LLC (US) 2005-07-20 EP disclosed
US-20050095663-A1 Process for screening fungitoxic compounds YOUNG DAVID H (US) 2005-05-05 US disclosed
WO-2003106385-A2 PROCESS FOR SCREENING FUNGITOXIC COMPOUNDS DOW AGROSCIENCES LLC (US) 2003-12-24 WO disclosed
EP-0760208-B1 Compositions having synergistic fungitoxic effects ROHM & HAAS (US) 2001-05-30 EP disclosed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US disclosed
EP-0760208-A2 Compositions having synergistic fungitoxic effects ROHM AND HAAS COMPANY (US) 1997-03-05 EP disclosed