SCHEMBL29040997

SCHEMBL29040997

CC(C)(C)c1ccc(-n2nc3ccccc3n2)c(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
CA2 P00918 1/20 0.42
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
F2R P25116 1/20 0.33

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
SCHEMBL28618791 0.87 NPC1 (0.47) NPC1RAB9ALMNACA2POLB
SCHEMBL9438168 0.87 NPC1 (0.43) NPC1RAB9ALMNACA2POLB
SCHEMBL29501855 0.87 CA2 (0.52) NPC1RAB9ALMNACA2POLB
SCHEMBL424271 0.87 CA2 (0.52) NPC1RAB9ALMNACA2POLB
SCHEMBL7077655 0.81 CA2 (0.44) NPC1RAB9ALMNACA2POLB
Acetic Acid SCHEMBL2229999 0.80 CA2 (0.44) NPC1RAB9ALMNACA2POLB
SCHEMBL11091548 0.79 NPC1 (0.40) NPC1RAB9ALMNACA2POLB
SCHEMBL7869116 0.78 NPC1 (0.50) NPC1RAB9ALMNACA2POLB
SCHEMBL78376 0.78 NPC1 (0.43) NPC1RAB9ALMNACA2POLB
SCHEMBL10578545 0.78 GABRA1 (0.43) NPC1RAB9ALMNACA2POLB

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
CN-114207063-B Radiation curable composition for coated optical fiber with multifunctional long arm oligomer 科思创(荷兰)有限公司 2023-07-25 CN disclosed