SCHEMBL7983806

SCHEMBL7983806

COc1ccc2c(c1OC)C(Cc1ccnc3ccccc13)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
FABP5 Q01469 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7970093 0.77 KCNH2 (0.42) RAB9ANPC1MAPTSMN1; SMN2FABP5
SCHEMBL7983255 0.77 LOXL2 (0.39) LOXL2RAB9ANPC1TP53MAPT
SCHEMBL7983609 0.75 PDE10A (0.47) PDE10AGAKRIPK2COQ8ANLK
SCHEMBL27369081 0.70 GAK (0.50) GAKRIPK2COQ8ANLKAAK1
Hydrochloric Acid SCHEMBL1819160 0.68 NPC1 (0.42) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL1818592 0.66 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL11819246 0.66 PDE10A (0.56) PDE10ARAB9AMAPTSMN1; SMN2PDE4A
SCHEMBL7980288 0.65 KCNH2 (0.47) MAPTSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL828159 0.65 GAK (0.55) PDE10AGAKRIPK2COQ8ANLK
Bromide SCHEMBL1822835 0.65 NPC1 (0.42) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed