SCHEMBL9419947

SCHEMBL9419947

NN=C(Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
VNN1 O95497 1/20 0.42
GRIN2B Q13224 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TRPA1 O75762 1/20 0.39
SRD5A2 P31213 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
IDO1 P14902 2/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15992415 0.82 GRIN2B (0.49) PAX8GRIN2BTAAR1IDO1MAOB
SCHEMBL2788935 0.81 L3MBTL1 (0.46) TAAR1MEN1LMNAMAPTKMT2A
SCHEMBL9018901 0.76 PAX8 (0.42) PAX8VNN1GRIN2BCYP1A1CYP1B1
SCHEMBL9018902 0.76 EPHX2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6339735 0.76 PTPN1 (0.56) VNN1CYP1A1CYP1B1SRD5A2CES2
SCHEMBL7423263 0.72 SMN1; SMN2 (0.59) IDO1MEN1KMT2ACES2CES1
SCHEMBL8865628 0.72 SMN1; SMN2 (0.59) IDO1MEN1KMT2ACES2CES1
SCHEMBL9419934 0.71 MEN1 (0.51) MEN1LMNAMAPTKMT2A
SCHEMBL9419869 0.71 NPC1 (0.46) GRIN2BTAAR1MAOBMEN1LMNA
SCHEMBL7935401 0.69 SRD5A2 (0.52) PAX8VNN1TAAR1SRD5A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288727-A Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1994-02-22 US disclosed
EP-0500111-A2 Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-08-26 EP disclosed