SCHEMBL25944996

SCHEMBL25944996

Cc1cc(I)cc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.45
MAPT P10636 1/20 0.44
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAOB P27338 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
SCHEMBL14959919 0.86 KIF11 (0.58) KIF11MAPTCNR2KDM4EALDH1A1
SCHEMBL19301032 0.86 KIF11 (0.54) KIF11MAPTCNR2KDM4EALDH1A1
SCHEMBL26375411 0.82 KIF11 (0.53) KIF11MAPTCNR2KDM4EALDH1A1
SCHEMBL25813358 0.80 RXRA (0.42) CNR2
SCHEMBL16906613 0.79 KIF11 (0.47) KIF11MAPTCNR2KDM4EALDH1A1
SCHEMBL24211025 0.78 RXRA (0.50) KIF11MAPTCNR2
SCHEMBL24211077 0.78 RXRA (0.50) KIF11MAPTCNR2
SCHEMBL23072542 0.77 TTR (0.36) CNR2ALDH1A1
SCHEMBL24518592 0.76 RXRA (0.48) KIF11MAPTCNR2
SCHEMBL13404348 0.76 RAPGEF4 (0.42) KIF11MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234524-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-30 EP disclosed
EP-4219436-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-02 EP disclosed