SCHEMBL8299332

SCHEMBL8299332

O=C(O)Oc1ncnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
ADORA2A P29274 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL29289403 0.84 RAB9A (0.53) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL15025570 0.79 RAB9A (0.63) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL27526838 0.77 RAB9A (0.50) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL28085964 0.77 SMN1; SMN2 (0.58) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL3635988 0.77 EGFR (0.62) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL1520184 0.75 MAPT (0.62) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL9348953 0.74 TSPO (0.45) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3979754 0.74 EGFR (0.69) RAB9AL3MBTL1NPC1TSHRMEN1
SCHEMBL28607064 0.74 RAB9A (0.49) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2
SCHEMBL22631290 0.74 SMN1; SMN2 (0.48) RAB9AL3MBTL1NPC1TSHRSMN1; SMN2

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
EP-0707006-B1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 1999-04-07 EP disclosed
EP-0707006-A1 Aroyl-piperidine derivatives CIBA-GEIGY AG (CH) 1996-04-17 EP disclosed