SCHEMBL13744788

SCHEMBL13744788

Fc1ccc(OCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.77
RAB9A P51151 10/20 0.77
SMN1; SMN2 Q16637 8/20 0.77
TP53 P04637 3/20 0.77
TSHR P16473 1/20 0.77
KMT2A Q03164 2/20 0.74
POLB P06746 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
LMNA P02545 2/20 0.69
HTT P42858 2/20 0.69
MEN1 O00255 1/20 0.69
GAA P10253 1/20 0.69
MAPK1 P28482 1/20 0.69
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
PKM P14618 1/20 0.61

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
SCHEMBL2241896 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2246129 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30354865 0.85 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2248644 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2245506 0.85 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL16938652 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL7199695 0.82 NPC1 (0.77) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL5007637 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL25437311 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30354827 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53TSHR

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
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 WO disclosed