SCHEMBL31411052

SCHEMBL31411052

O=[N+]([O-])c1ccncc1-c1ccc(-c2cccnc2OCCOCCOCCOCCOCCOCc2ccccc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CYP11B1 P15538 8/20 0.39
CYP11B2 P19099 8/20 0.39
CYP19A1 P11511 6/20 0.39
PIN1 Q13526 4/20 0.39
PTGES O14684 1/20 0.35
MGMT P16455 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL29547456 0.83 CYP11B1 (0.40) ALDH1A1KDM4ELMNACYP11B1CYP11B2
SCHEMBL20120397 0.83 CYP11B1 (0.40) ALDH1A1KDM4ELMNACYP11B1CYP11B2
SCHEMBL16931472 0.67 PIN1 (0.55) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL12033245 0.67 MGMT (0.43) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL18034615 0.66 CYP11B1 (0.77) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL20129197 0.66 MAPT (0.41) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL8569165 0.66 CYP11B1 (0.54) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL3870499 0.66 MEN1 (0.75) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL27032132 0.64 PIN1 (0.45) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL8252211 0.64 ALDH1A1 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1

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-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed