SCHEMBL8400550

SCHEMBL8400550

Cc1ccc2nn(-c3cc(OCCO)cc(C(C)(C)C)c3O)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TYR P14679 1/20 0.31
ESRRA P11474 1/20 0.31
IGF2BP2 Q9Y6M1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL23638712 0.94 NPC1 (0.37) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL11136454 0.89 NPC1 (0.41) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL31651454 0.84 MAPK14 (0.34) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL373843 0.83 NPC1 (0.35) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL7177419 0.83 THRB (0.39) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL29613654 0.83 NPC1 (0.35) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL21586965 0.83 NPC1 (0.40) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL21586947 0.83 PDE2A (0.36) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL30887157 0.83 PDE2A (0.36) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL8441278 0.83 CA1 (0.39) NPC1RAB9ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488145-B1 Ultraviolet light absorbing intraocular lens MENICON CO LTD (JP) 1999-06-09 EP disclosed
US-5147902-A Benzotriazole compound MENICON CO., LTD. (JP) 1992-09-15 US disclosed
EP-0488145-A2 Ultraviolet light absorbing ocular lens Menicon Co., Ltd. (JP) 1992-06-03 EP disclosed