SCHEMBL25754733

SCHEMBL25754733

CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
KIF11 P52732 1/20 0.39
TDO2 P48775 1/20 0.39
DGAT1 O75907 1/20 0.37
PDE2A O00408 2/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL13549565 0.84 TRPV1 (0.50) FAAHTRPV1KIF11TDO2DGAT1
SCHEMBL12891149 0.79 CYP1A2 (0.44) FAAHTDO2ALDH1A1HPGDNPSR1
SCHEMBL8255870 0.79 ASIC3 (0.53) FAAHNPC1RAB9AALDH1A1MAPT
SCHEMBL1011710 0.76 FAAH (0.48) FAAHTRPV1KIF11TDO2DGAT1
SCHEMBL1013500 0.76 TRPV1 (0.45) FAAHTRPV1KIF11TDO2DGAT1
SCHEMBL11785767 0.76 ASIC3 (0.59) FAAHTRPV1KIF11TDO2DGAT1
SCHEMBL2633158 0.74 LOXL2 (0.46) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3721383 0.73 FAAH (0.46) FAAHTRPV1PDE2A
SCHEMBL25243513 0.72 ALDH1A1 (0.43) FAAHTRPV1KIF11TDO2DGAT1
SCHEMBL30479919 0.72 ALDH1A1 (0.43) FAAHTRPV1KIF11TDO2DGAT1

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