SCHEMBL29549892

SCHEMBL29549892

Nc1cccc(C(=O)Nc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.42
P2RX1 P51575 3/20 0.41
RXFP1 Q9HBX9 2/20 0.37
CTSS P25774 1/20 0.37
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
P2RX7 Q99572 1/20 0.35
CFTR P13569 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD17B1 P14061 1/20 0.33

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
SCHEMBL1767085 1.00 PTGS1 (0.42) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL1766815 0.95 PTGS1 (0.40) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL29733365 0.92 PTGS1 (0.46) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL22664743 0.92 PTGS1 (0.46) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL1766487 0.92 PTGS1 (0.43) PTGS1P2RX1RXFP1P2RX7KDM4E
SCHEMBL12440038 0.88 PTGS1 (0.43) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL1766505 0.87 PTGS1 (0.42) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL29615074 0.87 PTGS1 (0.42) PTGS1P2RX1RXFP1CTSSKCNK3
SCHEMBL22497580 0.87 PTGS1 (0.40) PTGS1P2RX1RXFP1P2RX7SMN1; SMN2
SCHEMBL29161172 0.86 RXFP1 (0.41) RXFP1CTSSSMN1; SMN2KDM4ETRPV1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611767-B Amide compound and application thereof 沈阳化工大学 2025-03-25 CN disclosed
CN-119569605-A Amide compound and application thereof 沈阳化工大学 2025-03-07 CN disclosed
CN-118724864-B Amide derivative and application thereof 山东诚创蓝海医药科技有限公司 2025-01-28 CN disclosed
CN-119219519-A Amide compound and application thereof 沈阳化工大学 2024-12-31 CN disclosed
CN-119143667-A Amide compound and application thereof 沈阳化工大学 2024-12-17 CN disclosed
CN-118955367-A Amide compound and application thereof 沈阳化工大学 2024-11-15 CN disclosed
CN-118724864-A Amide derivative and application thereof 山东诚创蓝海医药科技有限公司 2024-10-01 CN disclosed
WO-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed
CN-115611767-A Amide compound and application thereof 沈阳化工大学 2023-01-17 CN disclosed
CN-112707837-B Preparation method of N-cyclopropylmethylaniline compound 长沙嘉桥生物科技有限公司 2022-07-19 CN disclosed
CN-114591232-A Long-acting control agent for ectoparasites of animals 三井化学AGRO株式会社 2022-06-07 CN disclosed
CN-111132549-B Long-acting control agent for ectoparasites of animals 三井化学AGRO株式会社 2022-04-12 CN disclosed