SCHEMBL7479868

SCHEMBL7479868

COC(=O)c1cc2ccc(N3CCOCC3)cc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(N(C)C)cc1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 9/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HCRTR1 O43613 1/20 0.36
AKR1C3 P42330 1/20 0.36
FAAH O00519 2/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 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
SCHEMBL1845404 0.94 KMT2A (0.43) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL5645606 0.90 MAPT (0.35) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5650444 0.89 MAPT (0.38) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL1845080 0.88 KEAP1 (0.38) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL5551024 0.87 KMT2A (0.42) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL5550214 0.87 KMT2A (0.47) MEN1KMT2ARXFP1MAPTSMN1; SMN2
SCHEMBL7938728 0.87 SLC16A3 (0.42) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL1847688 0.86 GABRG2 (0.37) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7483443 0.86 LRP6 (0.34) MEN1KMT2ARXFP1MAPTRAB9A
SCHEMBL5550993 0.84 MAPT (0.38) MEN1KMT2AMAPTRAB9ANPC1

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-1117656-B1 GREY COLOURING PHOTOCHROMIC FUSED PYRANS JAMES ROBINSON LTD (GB) 2002-05-29 EP disclosed
US-6387512-B1 FOR COLORING INKS, FUELS, PLASTICS OR GLASS JAMES ROBINSON LIMITED (GB) 2002-05-14 US disclosed