SCHEMBL12424746

SCHEMBL12424746

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C3=C4C(=O)NC(c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)=C4C(=O)N3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 1/20 0.33
GSK3B P49841 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NOTUM Q6P988 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL815442 0.89 PTGS2 (0.50) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL5892109 0.84 GSK3B (0.44) PTGS2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL22591650 0.83 PTGS2 (0.34) PTGS2ALDH1A1HPGDHSD17B10MEN1
SCHEMBL12424758 0.82 GSK3B (0.46) PTGS2ALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL12509934 0.81 PTGS2 (0.45) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL9833136 0.81 PTGS2 (0.47) PTGS2ALDH1A1HPGDGSK3BMEN1
SCHEMBL22431171 0.81 EGFR (0.43) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL25026520 0.80 ACHE (0.48) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7753950 0.80 CYP2D6 (0.46) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL16856686 0.80 PTGS2 (0.44) PTGS2ALDH1A1HPGDCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed