SCHEMBL28605047

SCHEMBL28605047

CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1.c1ncc2occc2n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.34
▸ CCR6 P51684 3/20 0.33
▸ CYP3A4 P08684 5/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CYP19A1 P11511 4/20 0.31

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
SCHEMBL69378 0.84 CYP3A4 (0.42) ABL1CCR6CYP3A4CYP17A1KCNH2
SCHEMBL7189416 0.84 CYP3A4 (0.42) ABL1CCR6CYP3A4CYP17A1KCNH2
SCHEMBL28993690 0.80 CCR6 (0.35) ABL1CCR6CYP3A4CYP17A1KCNH2
SCHEMBL10900702 0.75 TRPV1 (0.41) ABL1CYP3A4CYP17A1TRPV1CYP19A1
SCHEMBL10895463 0.75 CYP3A4 (0.40) CYP3A4CYP17A1CYP19A1
SCHEMBL17157354 0.71 CYP3A4 (0.43) ABL1CYP3A4CYP17A1KCNH2
SCHEMBL17172165 0.71 ABL1 (0.36) ABL1CCR6CYP3A4CYP17A1KCNH2
SCHEMBL11431939 0.71 CYP3A4 (0.57) ABL1CCR6CYP3A4CYP17A1KCNH2
SCHEMBL15686090 0.69 CCR6 (0.38) ABL1CCR6CYP3A4KCNH2TRPV1
SCHEMBL11433779 0.68 NPC1 (0.47) ABL1CCR6CYP3A4CYP17A1CYP19A1

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
CN-113575427-B Multi-tassel system for enhancing yield in monocots 孟山都技术公司 2023-03-28 — — CN disclosed
CN-113575427-A Multipanicle system for enhancing yield in monocots 孟山都技术公司 2021-11-02 — — CN disclosed
CN-113558056-A Multipanicle system for enhancing yield in monocots 孟山都技术公司 2021-10-29 — — CN disclosed
CN-107920519-B Multipanicle system for enhancing yield in monocots 孟山都技术公司 2021-08-06 — — CN disclosed
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