SCHEMBL28998201

SCHEMBL28998201

Cn1nnc(-c2ncc(C(=O)c3ccc(Cl)nc3)cc2F)c1OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.38
KCNQ2 O43526 9/20 0.38
KCNE1 P15382 6/20 0.38
KCNQ1 P51787 6/20 0.38
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
SPR P35270 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 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
SCHEMBL28998729 0.86 KCNQ3 (0.48) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL28998727 0.79 GAA (0.37) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL28998215 0.78
Hydrochloric Acid SCHEMBL28998795 0.77
SCHEMBL28998794 0.77
SCHEMBL28998741 0.75 RAB9A (0.50) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL28998183 0.74 JAK2 (0.34) RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL28998221 0.73 KMT2A (0.42) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL28998150 0.71 GPBAR1 (0.38)
SCHEMBL28998161 0.67 MEN1 (0.31)

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
CN-115942972-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-04-07 CN disclosed