SCHEMBL24913610

SCHEMBL24913610

CNC(C)(C)c1cc(C)c(Nc2ccc(C(C)(C)C)cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 10/20 0.47
TSHR P16473 1/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1G2 P78368 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
DHODH Q02127 2/20 0.36
SLC2A1 P11166 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL22051001 0.87 RAPGEF4 (0.55) RAPGEF4TSHRCSNK1DCSNK1G2HTR1D
SCHEMBL17858124 0.84 RAPGEF4 (0.68) RAPGEF4
SCHEMBL14981045 0.83 RAPGEF4 (0.59) RAPGEF4HTR1DHTR1BALDH1A1
SCHEMBL25964343 0.81 RAPGEF4 (0.48) RAPGEF4TSHRCSNK1DCSNK1G2HTR1D
SCHEMBL23139819 0.81 RAPGEF4 (0.50) RAPGEF4AKR1C3AKR1C2
SCHEMBL20404366 0.78 RAPGEF4 (0.70) RAPGEF4TSHRHTR1DHTR1B
SCHEMBL10296088 0.78 ALDH1A1 (0.56) RAPGEF4TSHRCSNK1DCSNK1G2DHODH
SCHEMBL26510680 0.77 CNR1 (0.47) RAPGEF4
SCHEMBL19465405 0.76 RAPGEF4 (0.43) RAPGEF4TSHRCSNK1DCSNK1G2HTR1D
SCHEMBL3220409 0.75 RAPGEF4 (0.50) RAPGEF4HTR1DHTR1BALDH1A1

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-4123736-A1 ORGANOELECTROLUMINESCENT DEVICE USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUNDS SFC Co., Ltd. (KR) 2023-01-25 EP disclosed