SCHEMBL11801720

SCHEMBL11801720

CCCCCCCCOC(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.68
SPHK1 Q9NYA1 1/20 0.68
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TUBB4A P04350 3/20 0.60
TUBB P07437 3/20 0.60
TUBA3C P0DPH7 3/20 0.60
TUBA1B P68363 3/20 0.60
TUBA4A P68366 3/20 0.60
TUBB4B P68371 3/20 0.60
TUBB3 Q13509 3/20 0.60
TUBB2A Q13885 3/20 0.60
TUBB8 Q3ZCM7 3/20 0.60
TUBA3E Q6PEY2 3/20 0.60
TUBA1A Q71U36 3/20 0.60
TUBA1C Q9BQE3 3/20 0.60
TUBB6 Q9BUF5 3/20 0.60
TUBB2B Q9BVA1 3/20 0.60

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
SCHEMBL11865449 0.95 NPC1 (0.65) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL11868109 0.90 TUBB4A (0.65) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL11811484 0.86 RAB9A (0.51) SPHK2SPHK1NPC1RAB9AALDH1A1
Lobendazole SCHEMBL29682294 0.84 LMNA (0.64) SPHK2SPHK1NPC1RAB9AALDH1A1
Lobendazole SCHEMBL205437 0.84 LMNA (0.64) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL11715582 0.84 SPHK2 (0.60) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL11805605 0.84 CYP3A4 (0.60) SPHK2SPHK1NPC1RAB9AALDH1A1
Carbendazim SCHEMBL11739819 0.83 SPHK2 (0.59) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL22401 0.83 LMNA (0.56) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL30084551 0.83 LMNA (0.56) SPHK2SPHK1NPC1RAB9AALDH1A1

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
US-3933846-A FUNGICIDES, OVICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed