SCHEMBL11345751

SCHEMBL11345751

O=C(O)CCOc1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 4/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
GLRA3 O75311 1/20 0.54
GLRB P48167 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 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
SCHEMBL8359303 0.90 RAB9A (0.58) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL45506 0.84 MAPT (0.68) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL3268052 0.80 RAB9A (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL2485504 0.80 MAPT (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL3266547 0.79 RAB9A (0.65) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL595019 0.79 RAB9A (0.65) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL6031547 0.78 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL29357142 0.78 KDM4E (0.79) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL28989046 0.78 RAB9A (0.59) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL595164 0.78 MEN1 (0.65) RAB9AMAPTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014079-B1 SPIRO-QUINOLYLHYDANTOINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 1981-11-18 EP disclosed
EP-0014079-A1 Spiro-quinolylhydantoins, process for their preparation and pharmaceutical compositions thereof PFIZER INC. (US) 1980-08-06 EP disclosed
US-4176185-A ALDOSE REDUCTASE ENZYME INHIBITORS FOR TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1979-11-27 US disclosed