SCHEMBL7828100

SCHEMBL7828100

COc1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
PTGS2 P35354 6/20 0.88
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
ALOX12 P18054 1/20 0.66
KCNK9 Q9NPC2 1/20 0.63
HTT P42858 1/20 0.60
PLAU P00749 1/20 0.60
ELANE P08246 1/20 0.60
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
ADORA3 P0DMS8 1/20 0.58
F10 P00742 1/20 0.58
TP53 P04637 1/20 0.57

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
SCHEMBL18168759 0.93 PTGS2 (1.00) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
Hydrochloric Acid SCHEMBL11552621 0.92 PTGS2 (0.97) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL11683119 0.89 SMN1; SMN2 (0.79) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL4927732 0.86 GAA (0.75) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL11566397 0.84 PTGS2 (1.00) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL2919439 0.83 RAB9A (0.87) GAASMN1; SMN2ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL11567963 0.83 PTGS2 (0.97) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
Hydrochloric Acid SCHEMBL11518997 0.83 PTGS2 (0.71) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL425101 0.82 PTGS2 (1.00) GAASMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL11705060 0.82 MAPT (0.79) GAASMN1; SMN2ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431397-B Benzotriazine free radical compound, preparation method thereof and application thereof in organic memristors and artificial synapses ZHENGZHOU UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-119751462-A Benzotriazine diradical compound, preparation method and application thereof in organic resistive random access memory, near infrared detector and temperature control film 郑州大学 2025-04-04 CN disclosed
CN-119431397-A Benzotriazine free radical compound, preparation method thereof and application thereof in organic memristors and artificial synapses 郑州大学 2025-02-14 CN disclosed
EP-1140956-A1 LIGANDS AND COMPLEXES FOR ENANTIOSELECTIVE HYDROGENATION dmc2 Degussa Metals Catalysts Cerdec AG (DE) 2001-10-10 EP disclosed
WO-2000037478-A1 LIGANDS AND COMPLEXES FOR ENANTIOSELECTIVE HYDROGENATION DEGUSSA AKTIENGESELLSCHAFT (DE) 2000-06-29 WO disclosed