SCHEMBL1845404

SCHEMBL1845404

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 8/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
HCRTR1 O43613 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL7479868 0.94 MEN1 (0.40) KMT2AMEN1RXFP1MAPTRAB9A
SCHEMBL1845080 0.93 KEAP1 (0.38) KMT2AMEN1RXFP1MAPTRAB9A
SCHEMBL5551024 0.93 KMT2A (0.42) KMT2AMEN1RXFP1MAPTRAB9A
SCHEMBL5550214 0.92 KMT2A (0.47) KMT2AMEN1RXFP1MAPTSMN1; SMN2
SCHEMBL7938728 0.92 SLC16A3 (0.42) KMT2AMEN1RXFP1MAPTRAB9A
SCHEMBL5550993 0.90 MAPT (0.38) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5549293 0.86 MAPT (0.39) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5645606 0.85 MAPT (0.35) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL1848196 0.85 PLA2G2A (0.41) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL7936515 0.85 KEAP1 (0.42) KMT2AMAPTRAB9AKDM4EAKR1C3

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-0971914-B1 NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO 1,2-b PYRANS AND HETEROCYCLIC PYRANS VIVIMED LABS EUROP LTD (GB) 2011-05-18 EP disclosed
US-6248264-B1 WINDOWS OR EYEGLASS/SUNGLASS LENSES HAVING GOOD DARKENING AND LIGHTENING PERFORMANCE WITH HIGH OPTICAL DENSITY JAMES ROBINSON LIMITED (GB) 2001-06-19 US disclosed