SCHEMBL8773497

SCHEMBL8773497

[O]c1ncc(C(F)(F)C(F)(Cl)Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
PLAU P00749 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5313204 0.82 ALDH1A1 (0.53) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL10436701 0.81 ALDH1A1 (0.40) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL8957637 0.78 ALDH1A1 (0.41) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL10353556 0.69 ALDH1A1 (0.40) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL19155254 0.68 RAB9A (0.56) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL7893865 0.67 ALDH1A1 (0.41) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL31253346 0.66
SCHEMBL5261076 0.66
SCHEMBL28605251 0.66 TSHR (0.43) ALDH1A1HTTLMNAMAPTKMT2A
SCHEMBL10349184 0.64 ALDH1A1 (0.42) ALDH1A1HTTLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577555-B1 Derivatives of carboxylic acids CIBA GEIGY AG (CH) 1997-11-05 EP disclosed
US-5578595-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1996-11-26 US disclosed
US-5481013-A INSECTICIDES, MITICIDES, CROPS CIBA-GEIGY CORPORATION (US) 1996-01-02 US disclosed
US-5326901-A 3-butenoic acid derivatives as intermediates for pesticides CIBA-GEIGY CORPORATION (US) 1994-07-05 US disclosed
EP-0577555-A1 Derivatives of carboxylic acids CIBA-GEIGY AG (CH) 1994-01-05 EP disclosed