SCHEMBL26698236

SCHEMBL26698236

CC(=O)Oc1ccn(C)c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 4/20 0.42
GLA P06280 4/20 0.42
POLB P06746 3/20 0.42
GAA P10253 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14856800 0.89 HAO1 (0.38) LMNACYP3A4KDM4EKMT2AMAPT
SCHEMBL26698294 0.81 ACHE (0.46) KDM4EGLAPOLBGAAACHE
SCHEMBL4810016 0.76 TUBB4A (0.47) LMNAKDM4EGAACA12CA9
SCHEMBL27836474 0.76 ALDH1A1 (0.58) LMNAPOLBGAATDP1ACHE
SCHEMBL31598867 0.76 TUBB4A (0.37) LMNAKDM4EKMT2AMAPT
SCHEMBL16776508 0.74 TUBB4A (0.36) KDM4EKMT2A
SCHEMBL27593738 0.74 TUBB4A (0.49) LMNACYP3A4KDM4EGLAPOLB
SCHEMBL20072247 0.74 CYP2A6 (0.47) LMNACYP3A4KDM4EGLAPOLB
SCHEMBL29518325 0.74 TUBB4A (0.49) LMNACYP3A4KDM4EGLAPOLB
SCHEMBL31655715 0.74 KDM4E (0.47) LMNACYP3A4KDM4EGLAPOLB

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
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed