SCHEMBL9369652

SCHEMBL9369652

O=[N+]([O-])c1cc(OC(F)(F)F)cc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TTR P02766 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL21487595 0.89 GPR35 (0.41) GPR35MEN1KMT2AALDH1A1TTR
SCHEMBL707416 0.81 SMN1; SMN2 (0.51) GPR35MEN1KMT2AALDH1A1MAPT
SCHEMBL11825523 0.77 GPR35 (0.51) GPR35MEN1KMT2AALDH1A1MAPT
SCHEMBL21865751 0.77 CYP1A2 (0.46) GPR35MEN1KMT2AALDH1A1MAPT
SCHEMBL8074925 0.77 TSHR (0.50) GPR35MEN1KMT2AALDH1A1TTR
SCHEMBL31226585 0.77 TSHR (0.50) GPR35MEN1KMT2AALDH1A1TTR
SCHEMBL9723044 0.76 TDP1 (0.41) GPR35MEN1KMT2AALDH1A1TTR
SCHEMBL30577358 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10976593 0.76 ALDH1A1 (0.37) GPR35MEN1KMT2AALDH1A1MAPT
SCHEMBL1192876 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTKDM4E

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
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0368008-A1 Fluorine-containing phenols BAYER AG (DE) 1990-05-16 EP disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed