SCHEMBL25920181

SCHEMBL25920181

CCCCCCC(C)c1cc(F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
GPR84 Q9NQS5 1/20 0.35
GCGR P47871 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GHSR Q92847 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
PSMD14 O00487 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
MC4R P32245 1/20 0.34
RAD52 P43351 1/20 0.34
GRM2 Q14416 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL21316934 0.98 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24222112 0.93 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14640345 0.93 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22792006 0.87 GCGR (0.38) GPR84GCGRCES2CES1GHSR
SCHEMBL24653299 0.87 GCGR (0.38) GPR84GCGRCES2CES1GHSR
SCHEMBL18885183 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5746666 0.81 GCGR (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22932487 0.80 NR1I2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9234989 0.79 MC4R (0.38) GCGRCES2CES1MC4RPDE2A
SCHEMBL24920008 0.79 CSNK1E (0.41) GCGRSPHK1GRM2

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
EP-4219501-A1 COMPOUND CONTAINING 2,4-THIAZOLE RING, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shandong University (CN) 2023-08-02 EP disclosed