SCHEMBL10020869

SCHEMBL10020869

C=C(C)C(=O)OCc1cc(C)cc(-n2nc3ccc(C)cc3n2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL1098652 0.91 NPC1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1100680 0.90 NPC1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1098829 0.88 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL1101121 0.81 ALDH1A1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5816097 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL4445959 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL14577752 0.79 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL825195 0.79 MAPT (0.32) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1100373 0.79 MAPT (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13367072 0.79 TSHR (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed