SCHEMBL29524972

SCHEMBL29524972

C#Cc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
HDAC8 Q9BY41 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EGFR P00533 1/20 0.36
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CA4 P22748 1/20 0.33
PTPN1 P18031 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 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
SCHEMBL1476059 1.00 GRM5 (0.41) GRM5HDAC8CES2CES1EGFR
SCHEMBL24942538 0.81 CYP17A1 (0.43) GRM5HDAC8CA12CA1CA2
SCHEMBL29061357 0.81 CA3 (0.44) GRM5CES2CES1CA1CA2
SCHEMBL16182687 0.80 HDAC8 (0.34) HDAC8EGFRMAP2K2MAP2K1CA12
SCHEMBL2797870 0.78 CA9 (0.50) EGFRCA12CA1CA2CA9
SCHEMBL3456320 0.78 CA12 (0.34) HDAC8EGFRCA12CA1CA2
SCHEMBL1477519 0.78 GRM5 (0.44) GRM5HDAC8EGFRMAP2K2MAP2K1
SCHEMBL14482193 0.78 ALDH1A1 (0.34) HDAC8EGFRMAP2K2MAP2K1CA12
SCHEMBL31308753 0.78 EGFR (0.49) HDAC8EGFR
SCHEMBL15094371 0.78 EGFR (0.49) HDAC8EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667328-B Catalyst for chemical conversion 陶氏环球技术有限责任公司 2024-11-08 CN claimed
CN-115667328-A Catalyst for chemical conversion 陶氏环球技术有限责任公司 2023-01-31 CN claimed
CN-119912509-A Cyclic dinucleotide analogue containing triazole structural unit as well as preparation method and application thereof 河南师范大学 2025-05-02 CN disclosed
WO-2025034034-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR TUMORS COMPRISING SAME 주식회사 대웅제약 2025-02-13 WO disclosed
CN-115667328-B Catalyst for chemical conversion 陶氏环球技术有限责任公司 2024-11-08 CN disclosed
CN-118284113-A Organic light emitting element and display device 乐金显示有限公司 2024-07-02 CN disclosed
CN-117545356-A Heterocyclic compound and method for controlling drug-resistant harmful arthropods by using composition containing same 住友化学株式会社 2024-02-09 CN disclosed
CN-116419937-A Composition for forming resist underlayer film 日产化学株式会社 2023-07-11 CN disclosed
CN-115667328-A Catalyst for chemical conversion 陶氏环球技术有限责任公司 2023-01-31 CN disclosed
CN-114206893-A (hetero) aryl-methyl-thio-beta-D-galactopyranoside derivatives 爱杜西亚药品有限公司 2022-03-18 CN disclosed