SCHEMBL11396153

SCHEMBL11396153

C=CC(=O)Oc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.72
RAB9A P51151 9/20 0.72
ALDH1A1 P00352 7/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
MAPT P10636 7/20 0.61
KDM4E B2RXH2 7/20 0.61
HPGD P15428 6/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 2/20 0.58
THRB P10828 2/20 0.55
IGF2BP2 Q9Y6M1 1/20 0.55
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRA P10827 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
SCHEMBL11396147 0.88 NPC1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL26977382 0.85 NPC1 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315778 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315776 0.85 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL563078 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315780 0.84 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315743 0.84 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315779 0.84 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL27691546 0.84 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29315737 0.83 KDM4E (0.60) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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-4260768-A Copolymerizable, ultraviolet light absorber 2-(2H-benzotriazol-2-yl)-4-alkylphenol acrylic acid esters GAF CORPORATION (US) 1981-04-07 US claimed
US-4260768-A Copolymerizable, ultraviolet light absorber 2-(2H-benzotriazol-2-yl)-4-alkylphenol acrylic acid esters GAF CORPORATION (US) 1981-04-07 US disclosed