SCHEMBL12733169

SCHEMBL12733169

Cc1cc(N2Nc3ccccc3N2C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ HSPA5 P11021 1/20 0.38
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL12733166 0.87 TSHR (0.39) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL12463634 0.76 LMNA (0.45) SMN1; SMN2ALDH1A1POLBHIF1ACYP2D6
SCHEMBL12733178 0.75 — —
SCHEMBL11337534 0.73 CYP1A2 (0.39) CA2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL9318674 0.72 CYP1A2 (0.38) CYP2C9CYP2C19TSHREGFRERBB2
SCHEMBL14429576 0.72 IDO1 (0.37) CA2SMN1; SMN2ALDH1A1POLBHIF1A
SCHEMBL12733173 0.71 CYP1A2 (0.32) CYP2C9CYP2C19TSHRPTGS2CYP1A2
SCHEMBL13245893 0.70 SMN1; SMN2 (0.53) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL29365942 0.68 NPC1 (0.64) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL208288 0.68 NPC1 (0.64) CA2SMN1; SMN2ALDH1A1POLBTYR

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-7919219-B2 Electrophotographic photosensitive body HODOGAYA CHEMICAL CO., LTD. (JP) 2011-04-05 — — US disclosed
US-20080044750-A1 Electrophotographic Photosensitive Body HODOGAYA CHEMICAL CO., LTD. (JP) 2008-02-21 — — US disclosed
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