SCHEMBL8948422

SCHEMBL8948422

c1ccc(OCCc2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
RAB9A P51151 6/20 0.71
TP53 P04637 3/20 0.71
TSHR P16473 1/20 0.71
LMNA P02545 3/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 2/20 0.62
AR P10275 1/20 0.58
CHRM1 P11229 1/20 0.56
KMT2A Q03164 2/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2B Q13224 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
PDE10A Q9Y233 1/20 0.55
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL8641659 0.94 GRIN1 (0.66) NPC1SMN1; SMN2RAB9ATP53TSHR
SCHEMBL8640793 0.89 NPC1 (0.65) NPC1SMN1; SMN2RAB9ATP53TSHR
SCHEMBL8641196 0.89 GRIN1 (0.63) NPC1SMN1; SMN2RAB9ATP53TSHR
SCHEMBL2241896 0.83 RAB9A (1.00) NPC1SMN1; SMN2RAB9ATP53TSHR
SCHEMBL230157 0.80 POLB (0.84) NPC1RAB9AMAPTPOLBCHRM1
SCHEMBL9039049 0.80 POLB (0.66) NPC1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL13405886 0.79 MAPT (0.91) SMN1; SMN2TSHRLMNAMAPTALDH1A1
SCHEMBL7006523 0.77 POLB (1.00) NPC1RAB9APOLBCHRM1PDE10A
SCHEMBL7854448 0.77 POLB (0.92) NPC1RAB9APOLBCHRM1KMT2A
SCHEMBL30583066 0.76 RAB9A (1.00) NPC1SMN1; SMN2RAB9AMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8183778-A None JP disclosed
JP-H08183778-A SURFACE-PROTECTING AGENT OF METAL AND PRODUCTION USING THE SAME YAMAGUCHI HIDEAKI 1996-07-16 JP disclosed