SCHEMBL8622650

SCHEMBL8622650

CON=C(C(=O)Oc1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
ALOX5 P09917 7/20 0.53
EPHX2 P34913 6/20 0.53
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL8626716 0.99 NPC1 (0.54) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8901444 0.89 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL9564275 0.79 NPC1 (0.64) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8555090 0.79 GPBAR1 (0.61) ALOX5
SCHEMBL8557020 0.79 GPBAR1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8556878 0.79 PPARD (0.50) NPC1RAB9AMAPTMEN1L3MBTL1
SCHEMBL8557214 0.78 ADORA3 (0.47) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8554930 0.78 GPBAR1 (0.62) ALOX5
SCHEMBL8555940 0.76 ADORA3 (0.41) RAB9AMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8557149 0.76 KMT2A (0.38) NPC1RAB9AMAPTSMN1; SMN2KMT2A

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-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed