SCHEMBL28891781

SCHEMBL28891781

C#C[CH]c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
CAPN1 P07384 1/20 0.34
CAPN2 P17655 1/20 0.34
PYCR1 P32322 1/20 0.32

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
SCHEMBL3225817 0.76 CYP2A6 (0.44) PYCR1
SCHEMBL3222382 0.74 APP (0.44) APP
SCHEMBL3227313 0.74 NFE2L2 (0.42) APP
SCHEMBL3228392 0.74 ALDH5A1 (0.46) APP
SCHEMBL3227490 0.74 HSD17B10 (0.46)
SCHEMBL3230155 0.74 CYP2A6 (0.46)
SCHEMBL334039 0.72
SCHEMBL14877351 0.70 ALDH1A1 (0.44) PYCR1
SCHEMBL3227761 0.70 ALDH1A1 (0.44)
SCHEMBL9781511 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 CN disclosed