SCHEMBL6704028

SCHEMBL6704028

CCCCCPOC(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALDH1A1 P00352 3/20 0.63
SPHK2 Q9NRA0 1/20 0.62
SPHK1 Q9NYA1 1/20 0.62
LMNA P02545 2/20 0.53
BCHE P06276 1/20 0.51
TRPC3 Q13507 1/20 0.51
TRPC4 Q9UBN4 1/20 0.51
TRPC5 Q9UL62 1/20 0.51
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50

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
SCHEMBL11801720 0.81 SPHK2 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
SCHEMBL11865449 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
SCHEMBL11868109 0.78 TUBB4A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
SCHEMBL9816345 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
SCHEMBL28299500 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
Lobendazole SCHEMBL205437 0.77 LMNA (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
Lobendazole SCHEMBL29682294 0.77 LMNA (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
Carbendazim SCHEMBL11774571 0.77 SPHK2 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
SCHEMBL6704022 0.77 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1SPHK2
Carbendazim SCHEMBL8427009 0.77 LMNA (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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
JP-2004319676-A SOLDER DEPOSITION METHOD AND SOLDER BUMP FORMING METHOD HARIMA CHEM INC 2004-11-11 JP disclosed