SCHEMBL29504072

SCHEMBL29504072

CCC1CC(C)(C)c2cccc(NC(=O)c3cccnc3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GFER P55789 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL19666628 0.92 TP53 (0.46) TP53ALDH1A1HTTL3MBTL1ALOX15
SCHEMBL29587357 0.89 ALDH1A1 (0.45) TP53ALDH1A1HTTL3MBTL1ALOX15
SCHEMBL29859557 0.86 ALDH1A1 (0.50) TP53ALDH1A1HTTL3MBTL1ALOX15
SCHEMBL287503 0.86 ALDH1A1 (0.50) TP53ALDH1A1HTTL3MBTL1ALOX15
SCHEMBL17854876 0.77 KDM4E (0.40) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL29352068 0.77 KDM4E (0.40) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL29355766 0.77 KDM4E (0.40) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL17374782 0.77 KDM4E (0.40) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL20550535 0.77 KDM4E (0.40) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL19668030 0.76 TSHR (0.40) TP53ALDH1A1HTTL3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098874-A1 ACTIVE COMPOUND COMBINATIONS HAVING FUNGICIDAL/INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2025-05-15 — — WO claimed
CN-114269145-A Apparatus and method for converting an existing sowing apparatus 先正达参股股份有限公司 2022-04-01 — — CN disclosed
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