SCHEMBL9831440

SCHEMBL9831440

O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
LMNA P02545 4/20 0.62
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
TP53 P04637 1/20 0.60
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 4/20 0.54
HTT P42858 4/20 0.54
RPS6KA3 P51812 1/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS1 P23219 1/20 0.48

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
SCHEMBL9830646 0.89 GAA (0.75) POLBLMNAGAASMN1; SMN2RXFP1
SCHEMBL10475128 0.84 GAA (0.59) POLBLMNAGAAL3MBTL1TP53
SCHEMBL8373805 0.84 POLB (1.00) POLBLMNAGAAL3MBTL1TP53
SCHEMBL6450629 0.81 GAA (0.64) LMNAGAAL3MBTL1KDM4EALDH1A1
SCHEMBL6454315 0.81 KAT6A (0.65) LMNAGAAALDH1A1MEN1MAPT
SCHEMBL28636438 0.81 KDM4E (0.74) POLBGAAKDM4EALDH1A1HTT
SCHEMBL6449862 0.80 GAA (0.62) POLBLMNAGAAL3MBTL1KDM4E
SCHEMBL15129266 0.79 LMNA (0.70) LMNAGAATP53KDM4ESMN1; SMN2
SCHEMBL3705046 0.78 KDM4E (0.52) POLBLMNAGAAL3MBTL1TP53
SCHEMBL16220966 0.77 LMNA (0.54) POLBLMNAGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185256-B1 TRIAZOLE DERIVATES, THEIR PREPARATION AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 EP disclosed