SCHEMBL28199042

SCHEMBL28199042

NCC(N)=Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 2/20 0.41
GRM4 Q14833 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR4A1 P22736 1/20 0.40
MAOA P21397 1/20 0.39
LMNA P02545 1/20 0.39
HRH1 P35367 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PLAU P00749 1/20 0.37

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
SCHEMBL18920778 0.78 NR4A1 (0.46) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL27142066 0.76 CYP1A2 (0.51) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL11694319 0.76 TDP1 (0.44) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL25415051 0.73 TDP1 (0.67) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7664358 0.72 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL9445878 0.72 RAB9A (0.60) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL9445874 0.72 RAB9A (0.60) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL7664352 0.72 TDP1 (0.50) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL21742339 0.71 TDP1 (0.59) TDP1RAB9ANPC1MEN1KMT2A
SCHEMBL21742348 0.71 TDP1 (0.59) TDP1RAB9ANPC1MEN1KMT2A

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
CN-107614496-B Process for preparing aminotetrahydropyran compounds 意大利合成制造有限公司 2020-11-03 CN disclosed
CN-107614496-A The method for preparing amino tetrahydro pyran compound 意大利合成制造有限公司 2018-01-19 CN disclosed