SCHEMBL26319795

SCHEMBL26319795

CCOc1ccc(N(c2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(CCc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
NQO1 P15559 1/20 0.50
CNR2 P34972 1/20 0.47
KMT2A Q03164 1/20 0.46
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL14174217 1.00 KCNH2 (0.50) KCNH2NQO1CNR2KMT2ALTB4R
SCHEMBL14979307 0.95 KCNH2 (0.46) KCNH2NQO1CNR2KMT2ALTB4R
SCHEMBL25548722 0.91 NQO1 (0.61) KCNH2NQO1CNR2LTB4RLTB4R2
SCHEMBL14979302 0.86 LTA4H (0.53) NQO1CNR2KMT2ALTB4RLTB4R2
SCHEMBL19607554 0.85 NQO1 (0.54) NQO1CNR2KMT2ATSHRTDP1
SCHEMBL12680650 0.85 NQO1 (0.54) NQO1CNR2KMT2ATSHRTDP1
SCHEMBL14417038 0.84 CYP1A2 (0.52) KCNH2CNR2TSHRTDP1ALDH1A1
SCHEMBL14732514 0.84 CYP1A2 (0.52) KCNH2CNR2TSHRTDP1ALDH1A1
SCHEMBL26319796 0.84 CYP1A2 (0.52) KCNH2CNR2TSHRTDP1ALDH1A1
SCHEMBL12203011 0.84 CYP1A2 (0.52) KCNH2CNR2TSHRTDP1ALDH1A1

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
US-20230273535-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMING DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2023-08-31 US disclosed
US-20230273535-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE FORMING DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2023-08-31 US disclosed