SCHEMBL24697691

SCHEMBL24697691

Cc1ccc(-c2nc(N3CCC3)nc3c2CCC3)cc1SN

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
IGF1R P08069 7/20 0.39
HPGD P15428 2/20 0.37
GBA1 P04062 2/20 0.37
ACHE P22303 2/20 0.36
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
HTR2C P28335 1/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24699158 0.87 IGF1R (0.34) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698922 0.82 HSD17B10 (0.35) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698106 0.82 HRH2 (0.39) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698728 0.80 KDM4E (0.36) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24699477 0.80 ALDH1A1 (0.47) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24699356 0.80 GBA1 (0.47) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698993 0.78 KDM4E (0.43) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24698190 0.77 KDM4E (0.42) KDM4EALDH1A1IGF1RHPGDGBA1
SCHEMBL24699440 0.76 PIK3CA (0.49) KDM4EALDH1A1HRH2HRH3
SCHEMBL24698813 0.76 IGF1R (0.37) KDM4EALDH1A1IGF1RHPGDGBA1

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