SCHEMBL7471010

SCHEMBL7471010

COc1ccc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
METAP1 P53582 3/20 0.37
PRKDC P78527 3/20 0.37
THRB P10828 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL2456236 0.93 PRKDC (0.41) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL29375169 0.93 PRKDC (0.41) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL5615614 0.92 KMT2A (0.41) NPSR1KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL2417015 0.92 PRKDC (0.40) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL8506443 0.92 NPSR1 (0.40) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL29501170 0.91 ALDH1A1 (0.41) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL2412684 0.91 ALDH1A1 (0.41) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL12205748 0.90 PRKDC (0.39) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL2599669 0.90 KDM4E (0.39) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL14607589 0.89 POLB (0.40) NPSR1KDM4ESMN1; SMN2L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973761-B1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO 2,1-b ]PYRANS JAMES ROBINSON LTD (GB) 2002-07-03 EP claimed
US-6294112-B1 Red coloring hyperchromic 3H-naphtho[2,1-B]pyrans JAMES ROBINSON LIMITED (GB) 2001-09-25 US claimed
EP-0973761-B1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO 2,1-b ]PYRANS JAMES ROBINSON LTD (GB) 2002-07-03 EP disclosed
US-6294112-B1 Red coloring hyperchromic 3H-naphtho[2,1-B]pyrans JAMES ROBINSON LIMITED (GB) 2001-09-25 US disclosed