SCHEMBL8968394

SCHEMBL8968394

COc1ccccc1C(=O)Cc1cc[nH+]cc1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
CTSD P07339 1/20 0.46
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC1 Q13547 1/20 0.45
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL8968389 0.89 NPC1 (0.49) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL29861033 0.84 NPC1 (0.63) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL3282912 0.84 NPC1 (0.63) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL19419913 0.81 TP53 (0.56) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL8967782 0.80 ERCC5 (0.46) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL6281987 0.79 POLB (0.63) NPC1SMN1; SMN2RAB9ATP53USP2
Bromide SCHEMBL8370980 0.78 POLB (0.62) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL332837 0.74 TTR (0.66) NPC1SMN1; SMN2CTSDCTNNB1WNT3A
SCHEMBL21023381 0.74 MAPK1 (0.56) NPC1SMN1; SMN2RAB9ATP53USP2
SCHEMBL9141895 0.74 NPC1 (0.62) NPC1SMN1; SMN2RAB9ATP53CTSD

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-5541032-A CHARGE STABILIZERS WHICH ARE INSENSITIVE TO MOISTURE, HEAT RESISTANT AND PRODUCE CRISP, UNIFORM VISIBLE IMAGES OF HIGH COLOR INTENSITY BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed