SCHEMBL25833890

SCHEMBL25833890

CC(C)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 2/20 0.55
ALOX12 P18054 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
Hydrochloric Acid SCHEMBL30874853 0.98 HTT (0.61) HTTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL12591776 0.92 MEN1 (0.58) HTTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL854818 0.90 L3MBTL1 (0.64) HTTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL854797 0.90 FFAR1 (0.58) HTTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL9322315 0.89 HTT (0.63) HTTALDH1A1CA1CA2MEN1
SCHEMBL1844630 0.85 MAPT (0.70) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL3899915 0.84 HTT (0.62) HTTALDH1A1GAAMAPTCA1
Hydrochloric Acid SCHEMBL1586435 0.83 MEN1 (0.53) HTTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL1924100 0.83 HTT (0.78) HTTALDH1A1GAAMAPTCA1
SCHEMBL11935866 0.83 L3MBTL1 (0.57) HTTALDH1A1L3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed