SCHEMBL5072857

SCHEMBL5072857

CC1=C(C)c2nc1cc1ccc(cc3nc(cc4[nH]c(c2C)c(C)c4CCC(=O)O)C=C3)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ APEX1 P27695 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSPD1 P10809 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL18229760 0.74 STAT3 (0.36) HSD17B10APEX1HPGDEGFRGPR17
SCHEMBL9320468 0.71 MEN1 (0.45) HSD17B10MEN1MAPTTHRBMAPK1
SCHEMBL6410839 0.71 GPR17 (0.33) APEX1EGFRGPR17FFAR1
SCHEMBL1256772 0.69 STAT3 (0.36) MEN1MAPTKMT2APOLB
Butyric Acid SCHEMBL28119498 0.69 FFAR3 (0.42) MEN1MAPK1KMT2AAPEX1LMNA
SCHEMBL6416150 0.68 CHRM1 (0.38) MAPTAPEX1POLBHPGDCYP2C19
Phenyl Propionic Acid SCHEMBL27936217 0.68 KEAP1 (0.56) MAPTTHRBMAPK1FFAR1FFAR4
SCHEMBL18229766 0.67 FABP3 (0.38) HSD17B10KMT2AAPEX1LMNAPOLB
Propionic Acid SCHEMBL27439210 0.67 FFAR3 (0.36) MEN1KMT2ALMNA
Propionic Acid SCHEMBL2502176 0.67 FFAR3 (0.36) MEN1KMT2ALMNA

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-1871421-A1 PHOTOSENSITIZERS AND MRI ENHANCERS Photo Diagnostic Devices (PDD) Ltd (CN) 2008-01-02 — — EP disclosed
WO-2006106383-A1 PHOTOSENSITIZERS AND MRI ENHANCERS PHOTO DIAGNOSTIC DEVICES (PDD) LTD (CN) 2006-10-12 — — WO disclosed
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