SCHEMBL9829202

SCHEMBL9829202

C=CCn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 12/20 0.48
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35
▸ TUBA3E Q6PEY2 2/20 0.35
▸ TUBA1A Q71U36 2/20 0.35
▸ TUBA1C Q9BQE3 2/20 0.35
▸ TUBB6 Q9BUF5 2/20 0.35
▸ TUBB2B Q9BVA1 2/20 0.35

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
SCHEMBL9829494 0.95 HSD11B1 (0.48) HSD11B1ESR1ESR2ATMP2RX7
SCHEMBL10940616 0.87 ATM (0.44) HSD11B1ATMEGFRTUBB4ATUBB
SCHEMBL9830794 0.86 HSD11B1 (0.53) HSD11B1P2RX7EGFRTUBB4ATUBB
SCHEMBL9830637 0.84 HSD11B1 (0.54) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9830270 0.84 HSD11B1 (0.51) HSD11B1P2RX7EGFRTUBB4ATUBB
SCHEMBL9831268 0.84 HSD11B1 (0.54) HSD11B1P2RX7EGFRTUBB4ATUBB
SCHEMBL9832147 0.82 HSD11B1 (0.52) HSD11B1ESR1EGFRTUBB4ATUBB
SCHEMBL9830317 0.82 HSD11B1 (0.55) HSD11B1EGFRTUBB4ATUBBTUBA3C
SCHEMBL9831776 0.81 HSD11B1 (0.51) HSD11B1ATMP2RX7TRPA1TRPM8
SCHEMBL9829810 0.79 HSD11B1 (0.54) HSD11B1P2RX7EGFRTUBB4ATUBB

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 4 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 claimed
EP-0185256-A2 Triazole derivates, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1986-06-25 — — EP claimed
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
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