SCHEMBL11439269

SCHEMBL11439269

OC(c1ccc(OC(F)(F)C(F)F)cc1)(c1cccnc1)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.51
▸ CYP3A5 P20815 8/20 0.51
▸ CYP19A1 P11511 10/20 0.49
▸ AHR P35869 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11726054 0.89 CYP3A4 (0.60) CYP3A4CYP3A5CYP19A1
SCHEMBL11433669 0.78 NPC1 (0.40) CYP3A4CYP3A5CYP19A1AHRNPC1
SCHEMBL11445510 0.77 CYP19A1 (0.64) CYP3A4CYP3A5CYP19A1
SCHEMBL11437664 0.76 CYP3A4 (0.63) CYP3A4CYP3A5CYP19A1NPC1RAB9A
SCHEMBL11433661 0.76 CYP19A1 (0.50) CYP3A4CYP3A5CYP19A1AHRNPC1
SCHEMBL11433294 0.75 CYP19A1 (0.45) CYP3A4CYP3A5CYP19A1NPC1RAB9A
SCHEMBL11685815 0.74 CYP19A1 (0.71) CYP3A4CYP3A5CYP19A1L3MBTL1
SCHEMBL11437613 0.72 CYP19A1 (0.51) CYP3A4CYP3A5CYP19A1NPC1RAB9A
Bromide SCHEMBL11731087 0.72 CYP19A1 (0.46) CYP3A4CYP3A5CYP19A1NPC1RAB9A
SCHEMBL11686747 0.72 CYP19A1 (0.64) CYP3A4CYP3A5CYP19A1AHRRAB9A

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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