SCHEMBL25811174

SCHEMBL25811174

CNc1cc(C(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KIF11 P52732 2/20 0.45
RAPGEF4 Q8WZA2 3/20 0.44
XPO1 O14980 2/20 0.42
IDH2 P48735 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
RAPGEF3 O95398 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GPR35 Q9HC97 1/20 0.37
LMNA P02545 1/20 0.37
P2RX1 P51575 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
IDO1 P14902 1/20 0.36
ACP1 P24666 1/20 0.36
CES2 O00748 1/20 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
SCHEMBL330354 0.91 MAPT (0.55) MAPTKIF11RAPGEF4XPO1IDH2
Hydrochloric Acid SCHEMBL1968509 0.89 MAPT (0.53) MAPTKIF11RAPGEF4XPO1IDH2
SCHEMBL8116484 0.89 GABRA1 (0.48) MAPTKIF11GABRA1GABRB2ALDH1A1
SCHEMBL20082558 0.84 GABRA1 (0.42) MAPTKIF11GABRA1GABRB2ALDH1A1
SCHEMBL1104677 0.83 GABRB2 (0.52) MAPTKIF11RAPGEF4XPO1GABRA1
SCHEMBL22861023 0.83 GABRB2 (0.52) MAPTKIF11RAPGEF4XPO1GABRA1
SCHEMBL13181873 0.80 RAPGEF4 (0.55) MAPTKIF11RAPGEF4XPO1IDH2
SCHEMBL3439602 0.79 RAPGEF4 (0.48) MAPTKIF11RAPGEF4XPO1GABRA1
SCHEMBL25005829 0.78 MEN1 (0.35) MAPTKIF11RAPGEF4GABRA1GABRB2
SCHEMBL7944387 0.78 KIF11 (0.45) MAPTKIF11RAPGEF4XPO1IDH2

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-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 WO disclosed