SCHEMBL25426301

SCHEMBL25426301

N#Cc1ccc2ccn(Cc3cccc(CNC(=O)O)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ TSHR P16473 4/20 0.66
▸ HSD17B10 Q99714 4/20 0.66
▸ HPGD P15428 3/20 0.66
▸ GLA P06280 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ IDO1 P14902 1/20 0.48
▸ USP2 O75604 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ APP P05067 3/20 0.45
▸ SNCA P37840 3/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ BACE1 P56817 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ KLKB1 P03952 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ ERCC1 P07992 1/20 0.40

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
SCHEMBL25427265 0.90 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29587490 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208381 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25421576 0.82 TSHR (0.51) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL29208441 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL3461756 0.76 ERCC1 (0.60) TSHRKLKB1KLK1ERCC1ERCC4
SCHEMBL29208475 0.74 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL14632407 0.73 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL25425543 0.72 TSHR (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6087245 0.72 HTR6 (0.51) ALDH1A1KDM4ETSHRHSD17B10HPGD

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
EP-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 — — EP disclosed
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