SCHEMBL23912877

SCHEMBL23912877

CCC(C)[C@@H]1COC(c2ccccn2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL30426579 0.85 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL3678013 0.85 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL8405877 0.85 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL28344271 0.85 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL1264655 0.84 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12786267 0.77 KDM4E (0.46) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL29256447 0.76 MAPK1 (0.50) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL29040569 0.76 CYP1A2 (0.44) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL28927232 0.76 MAPK1 (0.50) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL28927234 0.76 MAPK1 (0.50) NPC1RAB9AMAPTSMN1; SMN2CYP1A2

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-3892615-A1 PROCESS FOR THE PREPARATION OF SILODOSIN Minakem (FR) 2021-10-13 EP disclosed