SCHEMBL30751960

SCHEMBL30751960

COC(=O)c1ccc(Cl)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.55
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
GAA P10253 2/20 0.47
CFTR P13569 2/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL28830749 1.00 XPO1 (0.55) XPO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27702568 0.85 CFTR (0.46) XPO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL474055 0.83 KDM4E (0.57) XPO1MAPTKDM4ENFKB1NFKB2
SCHEMBL20808527 0.83 XPO1 (0.60) XPO1MAPTNFKB1NFKB2RELA
SCHEMBL10667889 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22089893 0.81 XPO1 (0.47) XPO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22069396 0.81 XPO1 (0.49) XPO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22098611 0.81 XPO1 (0.49) XPO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1267198 0.80 XPO1 (0.56) XPO1GAAKDM4ENFKB1SMN1; SMN2
SCHEMBL21645062 0.80 XPO1 (0.56) XPO1MAPTNFKB1NFKB2RELA

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-117295724-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-12-26 CN disclosed