SCHEMBL24176104

SCHEMBL24176104

CC12CCCCN1CCOC2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL24176103 0.94 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26341319 0.85 LRRK2 (0.31)
SCHEMBL24176105 0.85
SCHEMBL1515242 0.82 ALDH1A1 (0.39) ALDH1A1
SCHEMBL24176107 0.82 MGLL (0.33) ALDH1A1
SCHEMBL3652178 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3756826 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9275287 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10856987 0.77 OPRM1 (0.34)
SCHEMBL30244622 0.75 ALKBH5 (0.33)

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
WO-2022002102-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-01-06 WO disclosed