SCHEMBL22310345

SCHEMBL22310345

IOCCCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.56
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL14553250 0.98 HRH3 (0.61) HRH3L3MBTL1ATM
SCHEMBL8159902 0.93 HRH3 (0.52) HRH3ALDH1A1CYP2D6CYP2C19
SCHEMBL14041546 0.91 HRH3 (0.56) HRH3CYP1A2
Methylamine SCHEMBL1582949 0.85 HRH3 (0.50) HRH3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL23868249 0.80 SMN1; SMN2 (0.52) HRH3LMNAHTTALDH1A1CYP1A2
SCHEMBL20331332 0.80 ALDH1A1 (0.49) HRH3MEN1KMT2AALDH1A1
SCHEMBL21037024 0.80 HRH3 (0.62) HRH3L3MBTL1ATMMEN1LMNA
SCHEMBL8229217 0.80 HRH3 (0.48) HRH3L3MBTL1MAPTALDH1A1
SCHEMBL5709253 0.79 HRH3 (0.87) HRH3MAPTCYP1A2
SCHEMBL23870328 0.77 KDM4E (0.54) HRH3MEN1LMNAKMT2AALDH1A1

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
EP-3919492-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-12-08 EP disclosed
WO-2020156453-A1 PYRIMIDINYL GROUP-CONTAINING TRICYCLIC COMPOUND SERVING AS C-MET INHIBITOR 南京明德新药研发有限公司 2020-08-06 WO disclosed