SCHEMBL24698115

SCHEMBL24698115

NCc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 1/20 0.36
ACHE P22303 2/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
BPTF Q12830 1/20 0.36
IGF1R P08069 2/20 0.36
GBA1 P04062 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL24699003 0.88 PRMT6 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL24697814 0.87 HRH3 (0.44) HRH2HRH3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL24698524 0.87 HRH2 (0.39) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24698120 0.86 HRH2 (0.39) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24697738 0.85 HRH2 (0.38) HRH2HRH3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL24699432 0.85 HRH2 (0.38) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24697825 0.84 NCF1 (0.41) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24698157 0.84 HRH3 (0.43) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24697795 0.82 ALDH1A1 (0.40) HRH2HRH3KDM4EALDH1A1HPGD
SCHEMBL24698171 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed