SCHEMBL25754718

SCHEMBL25754718

CC(C)(C)c1ccc(-c2cncc(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.53
DGAT1 O75907 1/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MITF O75030 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
XDH P47989 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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 0.84 KIF11 (0.60) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL10154080 0.84 KIF11 (0.60) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL30337602 0.84 CYP11B1 (0.55) RAB9ANPC1TP53ALDH1A1KMT2A
SCHEMBL25094279 0.79 KIF11 (0.55) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL10154177 0.79 KIF11 (0.55) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL25515089 0.78 KIF11 (0.50) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL10154180 0.76 KIF11 (0.51) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL7812461 0.76 POLB (0.39) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL2655921 0.75 NPC1 (0.64) KIF11DGAT1RAB9ANPC1TP53
SCHEMBL22539620 0.75 NPC1 (0.64) KIF11DGAT1RAB9ANPC1TP53

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