SCHEMBL30711795

SCHEMBL30711795

CN(C)CCCNCc1ccc2c(Cl)cc(Cl)c(N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.43
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
FERMT2 Q96AC1 1/20 0.38
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.33
APOBEC3A P31941 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 1/20 0.33
TOP2A P11388 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL20853391 1.00 TERT (0.43) TERTCCNA2CDK2FERMT2TSHR
SCHEMBL20838501 0.93 TERT (0.41) TERTFERMT2RAD52KMT2AMAPT
SCHEMBL20838473 0.82 SIGMAR1 (0.45) TERTFERMT2RAD52KMT2AMAPT
SCHEMBL30711805 0.76 TERT (0.41) TERTRAD52
SCHEMBL20853404 0.76 TERT (0.41) TERTRAD52
SCHEMBL20853238 0.75 TERT (0.40) TERTFERMT2RAD52
SCHEMBL16106479 0.70 PDE5A (0.42) LMNAGAAPOLBSLC2A1RAB9A
SCHEMBL20853405 0.69 TERT (0.45) TERT
SCHEMBL30711798 0.69 TERT (0.45) TERT
SCHEMBL4738026 0.67 MAPT (0.66) TSHRLMNAGAARAB9AKMT2A

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-3466931-B1 TETRADENTATE CHELATING MONOQUINOLINE DERIVATIVE, MANUFACTURING METHOD THEREOF, AND APPLICATION OF SAME AS METAL ION REGULATOR FOR NEURODEGENERATIVE DISEASE UNIV GUANGDONG TECHNOLOGY (CN) 2024-01-10 EP disclosed