SCHEMBL11816680

SCHEMBL11816680

CCN(CC)CCOc1ccc(Nc2nc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPT P10636 2/20 0.55
ATP4A P20648 8/20 0.54
ATP4B P51164 8/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PDE10A Q9Y233 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL29369155 0.84 KMT2A (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5022950 0.84 KMT2A (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11817262 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9972400 0.77 SRC (0.53) NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1822612 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11878533 0.77 CYP2D6 (0.65) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL5027312 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11818548 0.76 LTA4H (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11820987 0.75 LTA4H (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5023516 0.75 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-3957999-A ADMINISTERING THE BOOTS COMPANY (EN) 1976-05-18 US disclosed