SCHEMBL26371010

SCHEMBL26371010

Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.72
TNKS O95271 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
JAK2 O60674 1/20 0.53
CHEK1 O14757 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
CYP2A13 Q16696 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL26370891 0.88 HRH3 (0.72) HRH3TNKSSMN1; SMN2JAK2CHEK1
SCHEMBL16883444 0.87 HRH3 (0.59) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL24061141 0.83 HRH3 (0.82) HRH3SMN1; SMN2JAK2NPC1RAB9A
SCHEMBL19390864 0.83 HRH3 (0.60) HRH3TNKSSMN1; SMN2JAK2CHEK1
SCHEMBL13161945 0.82 HRH3 (0.62) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL13376445 0.82 HRH3 (0.68) HRH3TNKSSMN1; SMN2JAK2CHEK1
SCHEMBL30616059 0.81 HRH3 (0.57) HRH3TNKSJAK2CHEK1NPC1
SCHEMBL4469770 0.81 HRH3 (0.61) HRH3TNKSSMN1; SMN2JAK2CHEK1
SCHEMBL4465612 0.80 HRH3 (0.59) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL19869673 0.79 HRH3 (0.59) HRH3TNKSCHEK1NPC1RAB9A

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-3572400-B1 EZH2 INHIBITOR AND USE THEREOF TARAPEUTICS SCIENCE INC (CN) 2023-10-04 EP disclosed