SCHEMBL9829494

SCHEMBL9829494

C=CCn1nc(-c2ccccc2C(F)(F)F)nc1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.48
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ USP1 O94782 2/20 0.35
▸ WDR48 Q8TAF3 2/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL9829202 0.95 HSD11B1 (0.48) HSD11B1ESR1ESR2ATMP2RX7
SCHEMBL10940616 0.87 ATM (0.44) HSD11B1ATMALDH1A1LMNAPOLB
SCHEMBL9829810 0.84 HSD11B1 (0.54) HSD11B1P2RX7CYP1A2CYP3A4ALDH1A1
SCHEMBL9831536 0.82 HSD11B1 (0.55) HSD11B1CYP1A2CYP3A4ALDH1A1TSHR
SCHEMBL9830794 0.81 HSD11B1 (0.53) HSD11B1P2RX7TRPA1TRPM8TRPV1
SCHEMBL9830270 0.79 HSD11B1 (0.51) HSD11B1P2RX7TRPA1TRPM8TRPV1
SCHEMBL9831268 0.79 HSD11B1 (0.54) HSD11B1P2RX7
SCHEMBL9830637 0.79 HSD11B1 (0.54) HSD11B1
SCHEMBL9830823 0.77 HSD11B1 (0.62) HSD11B1TRPA1CYP1A2CYP3A4ALDH1A1
SCHEMBL9832147 0.77 HSD11B1 (0.52) HSD11B1ESR1

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-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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