SCHEMBL13341982

SCHEMBL13341982

CCCCC(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25068946 0.87 NPC1 (0.39) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL30290848 0.82 NPC1 (0.40) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL13015016 0.80 NPC1 (0.38) NPC1RAB9APOLBLMNACYP3A4
SCHEMBL8861274 0.79 NPC1 (0.38) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL4824480 0.79 NPC1 (0.38) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL224924 0.79 CNR1 (0.38) NPC1RAB9APOLBLMNA
SCHEMBL8861271 0.79 NPC1 (0.38) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL18827082 0.78 TYR (0.34) ALDH1A1HPGD
SCHEMBL11622823 0.78 NPC1 (0.40) NPC1RAB9APOLBLMNAKDM4E
SCHEMBL3830756 0.78 NPC1 (0.45) NPC1RAB9APOLBLMNAIDH1

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-2202742-A1 CONCAVE PORTION FORMING METHOD, CONCAVE-CONVEX PRODUCT MANUFACTURING METHOD, LIGHT-EMITTING ELEMENT MANUFACTURING METHOD, AND OPTICAL ELEMENT MANUFACTURING METHOD Fujifilm Corporation (JP) 2010-06-30 EP disclosed