SCHEMBL25755091

SCHEMBL25755091

CNc1cncc(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
XDH P47989 2/20 0.50
SLC22A12 Q96S37 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALPL P05186 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL10154066 0.81 KIF11 (0.60) KIF11XDHSLC22A12ALDH1A1DGAT1
SCHEMBL10154080 0.81 KIF11 (0.60) KIF11XDHSLC22A12ALDH1A1DGAT1
SCHEMBL25754719 0.78 FDPS (0.53) XDHSLC22A12IRAK4ALDH1A1KDM4E
SCHEMBL22010700 0.77 ALDH1A1 (0.46) KIF11XDHSLC22A12ALDH1A1KDM4E
SCHEMBL25094279 0.77 KIF11 (0.55) KIF11XDHSLC22A12ALDH1A1DGAT1
Hydrochloric Acid SCHEMBL27958833 0.77 FDPS (0.51) XDHSLC22A12IRAK4ALDH1A1KDM4E
SCHEMBL10154177 0.77 KIF11 (0.55) KIF11XDHSLC22A12ALDH1A1DGAT1
SCHEMBL25754718 0.75 KIF11 (0.53) KIF11XDHSLC22A12ALDH1A1KDM4E
SCHEMBL23577218 0.75 CNR1 (0.55) KIF11CNR1
SCHEMBL10154180 0.74 KIF11 (0.51) KIF11XDHSLC22A12ALDH1A1DGAT1

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-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed