SCHEMBL9832147

SCHEMBL9832147

OCCn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.52
EGFR P00533 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ESR1 P03372 1/20 0.37

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
SCHEMBL9831268 0.90 HSD11B1 (0.54) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9830317 0.88 HSD11B1 (0.55) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9830270 0.88 HSD11B1 (0.51) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9830794 0.87 HSD11B1 (0.53) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9830637 0.85 HSD11B1 (0.54) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9831536 0.83 HSD11B1 (0.55) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9829202 0.82 HSD11B1 (0.48) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9705543 0.81 HSD11B1 (0.62) HSD11B1
SCHEMBL9829810 0.80 HSD11B1 (0.54) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL4611901 0.79 HSD11B1 (0.56) HSD11B1

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