SCHEMBL10499485

SCHEMBL10499485

CC(Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1)C(=O)N(C)C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HTT P42858 7/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ JAK3 P52333 2/20 0.36

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
SCHEMBL10499524 0.89 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL10500120 0.88 CYP1A2 (0.63) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9420221 0.83 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
Hydrochloric Acid SCHEMBL10947367 0.82 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9586772 0.82 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL733453 0.81 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL11299600 0.81 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9586754 0.81 TP53 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL8508358 0.80 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL29413788 0.79 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148119-B1 AMIDES OF 2-PHENOXYPROPIONIC ACID CIBA-GEIGY AG (CH) 1989-05-03 — — EP claimed
US-4640703-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1987-02-03 — — US claimed
EP-0148119-A2 Amides of 2-phenoxypropionic acid CIBA-GEIGY AG (CH) 1985-07-10 — — EP claimed
EP-0148119-B1 AMIDES OF 2-PHENOXYPROPIONIC ACID CIBA-GEIGY AG (CH) 1989-05-03 — — EP disclosed
US-4759796-A Used together with a carrier and other adjuvant CIBA-GEIGY CORPORATION (US) 1988-07-26 — — US disclosed
US-4640703-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1987-02-03 — — US disclosed
EP-0148119-A2 Amides of 2-phenoxypropionic acid CIBA-GEIGY AG (CH) 1985-07-10 — — EP disclosed
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