SCHEMBL31484255

SCHEMBL31484255

COc1c(C=NN)cccc1CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.39
▸ NFE2L2 Q16236 2/20 0.38
▸ MTNR1A P48039 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ PLA2G10 O15496 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31484256 0.77 MAPT (0.39) KDM4ELMNAPOLBMAPTSMN1; SMN2
SCHEMBL1032325 0.75 CA12 (0.50) LMNANFE2L2CA1CA2ALDH1A1
SCHEMBL29639810 0.74 ALDH1A1 (0.41) MTNR1AALDH1A1
SCHEMBL4685087 0.74 ALDH1A1 (0.42) KDM4ELMNAALDH1A1
SCHEMBL2315019 0.73 CA1 (0.61) KDM4EHPGDLMNAPOLBNFE2L2
SCHEMBL2318116 0.72 KDM4E (0.58) KDM4EHPGDLMNANFE2L2MAPT
SCHEMBL2235848 0.69 MAPT (0.42) KDM4EHPGDLMNAMAPTHTT
SCHEMBL6904741 0.67 AOC3 (0.50) KDM4ELMNAPOLBMAPTALDH1A1
SCHEMBL1010680 0.66 LMNA (0.64) KDM4ELMNAPOLBMAPTSMN1; SMN2
SCHEMBL9504003 0.66 MTNR1A (0.47) KDM4EHPGDLMNAMTNR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068461-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 — — WO claimed
WO-2025068461-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 — — WO disclosed
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