SCHEMBL28368129

SCHEMBL28368129

N#Cc1cc(Cl)cc(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
EPAS1 Q99814 6/20 0.33
VEGFA P15692 3/20 0.33
ARNT P27540 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP3A4 P08684 1/20 0.33
GRM5 P41594 3/20 0.32
CYP1A2 P05177 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
SCHEMBL29505116 1.00 KCNH2 (0.40) KCNH2MEN1LMNAMAPTRAB9A
SCHEMBL12127371 0.81 KCNH2 (0.43) KCNH2EPAS1VEGFAARNTCYP3A4
SCHEMBL16953550 0.81 KCNH2 (0.34) KCNH2MEN1LMNAMAPTRAB9A
SCHEMBL29639661 0.79 EPAS1 (0.45) EPAS1VEGFA
SCHEMBL22081868 0.78 ADORA1 (0.34) MAPTEPAS1
SCHEMBL12134589 0.78 KCNH2 (0.40) KCNH2LMNAEPAS1VEGFA
SCHEMBL16956085 0.78 EPAS1 (0.30) EPAS1
SCHEMBL16962117 0.78 EPAS1 (0.30) EPAS1
SCHEMBL16955986 0.75 MAPT (0.35) KCNH2LMNAMAPTNPSR1EPAS1
SCHEMBL508238 0.75 KCNH2 (0.39) KCNH2MAPTEPAS1VEGFAARNT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885291-B Synthetic method of 3-chloro-5- (difluoromethoxy) benzylamine 阿里生物新材料(常州)有限公司 2022-04-05 CN claimed
CN-110885291-A Synthetic method of 3-chloro-5- (difluoromethoxy) benzylamine 阿里生物新材料(常州)有限公司 2020-03-17 CN claimed
CN-110885291-B Synthetic method of 3-chloro-5- (difluoromethoxy) benzylamine 阿里生物新材料(常州)有限公司 2022-04-05 CN disclosed
CN-110885291-A Synthetic method of 3-chloro-5- (difluoromethoxy) benzylamine 阿里生物新材料(常州)有限公司 2020-03-17 CN disclosed