SCHEMBL25813337

SCHEMBL25813337

O=Cc1cc(N2CCCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
CHKA P35790 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.41
IP6K1 Q92551 3/20 0.41
TERT O14746 2/20 0.41
ELOVL1 Q9BW60 1/20 0.40
MAP4K4 O95819 1/20 0.40
IP6K3 Q96PC2 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A3 P47895 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL23451281 0.73 HRH4 (0.47) HRH4TRIM24TRIM33CHKAALDH1A1
SCHEMBL6167866 0.73 HRH4 (0.47) HRH4CHKAALDH1A1KDM4EMAPT
SCHEMBL6167874 0.73 HRH4 (0.47) HRH4CHKAALDH1A1KDM4EMAPT
SCHEMBL9056991 0.73 MAPT (0.37) ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL2600020 0.73 TRIM24 (0.53) TRIM24TRIM33CHKAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7260366 0.72 HRH4 (0.46) HRH4CHKAALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL7260368 0.72 HRH4 (0.46) HRH4CHKAALDH1A1KDM4EMAPT
SCHEMBL24532577 0.72 IP6K1 (0.54) HRH4TRIM24TRIM33ALDH1A1KDM4E
SCHEMBL1634508 0.72 CHKA (0.52) HRH4CHKAALDH1A1MAPTIP6K1
SCHEMBL24126771 0.72 CHKA (0.52) HRH4CHKAALDH1A1MAPTIP6K1

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-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 EP disclosed