SCHEMBL29639686

SCHEMBL29639686

N#CC1(c2cc(Cl)cc(C(=O)O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.50
▸ HCAR1 Q9BXC0 1/20 0.44
▸ WDR5 P61964 4/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ VNN1 O95497 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MRGPRX4 Q96LA9 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
SCHEMBL22926217 1.00 TPMT (0.50) TPMTHCAR1WDR5MEN1NPC1
SCHEMBL21486502 0.86 OPRM1 (0.38) TPMTWDR5MEN1NPC1ALDH1A1
SCHEMBL23976730 0.86 PARP1 (0.39) TPMTWDR5MEN1NPC1ALDH1A1
SCHEMBL29672156 0.82 RAPGEF3 (0.41) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL21462335 0.82 RAPGEF3 (0.41) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL31646560 0.81 WDR5 (0.49) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL22497939 0.77 TRPM8 (0.43) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL29659833 0.77 TRPM8 (0.43) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL23977427 0.77 RAB9A (0.46) WDR5MEN1NPC1ALDH1A1RAB9A
SCHEMBL31032250 0.75 KMT2A (0.47) WDR5MEN1NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969925-B Heteroaryl-triazole compounds BAYER AG (DE) 2026-05-26 — — CN disclosed
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 — — CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 — — CN disclosed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 — — CN disclosed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 — — CN disclosed
EP-4003974-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-06-01 — — EP disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 — — CN disclosed
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