SCHEMBL11433073

SCHEMBL11433073

CC(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 4/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ ABL1 P00519 10/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ CYP19A1 P11511 5/20 0.41

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
SCHEMBL11726591 0.83 CYP3A4 (0.50) CCR6KCNH2ABL1CYP19A1
SCHEMBL9886318 0.83 CCR6 (0.42) CCR6KCNH2ABL1TRPV1CYP19A1
SCHEMBL29226403 0.81 CYP19A1 (0.56) CYP19A1
SCHEMBL29226402 0.81 CYP19A1 (0.56) CYP19A1
SCHEMBL17159520 0.81 ABL1 (0.41) CCR6KCNH2ABL1CYP19A1
SCHEMBL17185897 0.81 ABL1 (0.41) CCR6KCNH2ABL1CYP19A1
SCHEMBL17157426 0.81 CYP3A4 (0.45) KCNH2ABL1
SCHEMBL7189416 0.80 CYP3A4 (0.42) CCR6KCNH2ABL1CYP19A1
SCHEMBL69378 0.80 CYP3A4 (0.42) CCR6KCNH2ABL1CYP19A1
SCHEMBL15686090 0.80 CCR6 (0.38) CCR6KCNH2ABL1TRPV1CYP19A1

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
US-4194899-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1980-03-25 — — US disclosed
US-4110099-A INHIBITOR FOR INTERNODEL GROWTH OF PLANTS ELI LILLY AND COMPANY (US) 1978-08-29 — — US disclosed
US-RE29367-E HERBICIDES, FUNGICIDES, 5-PYRIMIDINYL ELI LILLY AND COMPANY (US) 1977-08-23 — — US disclosed
US-4002628-A HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1977-01-11 — — US disclosed
US-3967949-A Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents ELI LILLY AND COMPANY (US) 1976-07-06 — — US disclosed
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