SCHEMBL5551006

SCHEMBL5551006

C#CC(O)(c1ccc(N2CCOCC2)cc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
ALDH1A1 P00352 9/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TP53 P04637 3/20 0.49
HPGD P15428 2/20 0.49
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ICMT O60725 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL24620635 0.90 MAPT (0.39) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL24620659 0.83 MAPT (0.47) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL25954142 0.83 MAPT (0.47) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28370082 0.81 LMNA (0.51) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL162513 0.81 LMNA (0.51) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20643563 0.78 MAPT (0.44) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL10018215 0.77 TP53 (0.50) MAPTALDH1A1RAB9ANPC1TP53
SCHEMBL1962637 0.77 AKR1C3 (0.49) MAPTALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL13452265 0.76 ESR1 (0.36) MAPTALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL25954140 0.76 KMT2A (0.41) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed