SCHEMBL29289403

SCHEMBL29289403

CC(=O)Oc1ncnc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 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
SCHEMBL8299332 0.84 RAB9A (0.54) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL14581628 0.79 CSF1R (0.46) ALDH1A1LMNAKDM4E
SCHEMBL27526838 0.79 RAB9A (0.50) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL13844328 0.76 MAPT (0.43) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL30117773 0.76 RAB9A (0.56) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL7053228 0.76 RAB9A (0.56) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL4099491 0.75 RAB9A (0.60) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL28085964 0.75 SMN1; SMN2 (0.58) RAB9AMAPTALDH1A1NPC1RXFP1
SCHEMBL3635988 0.75 EGFR (0.62) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL15025570 0.75 RAB9A (0.63) RAB9AMAPTALDH1A1NPC1RXFP1

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
CN-104098551-B Substituted quinazoline analog derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-03-22 CN disclosed