SCHEMBL28020381

SCHEMBL28020381

COc1ccnc(C2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
PDE10A Q9Y233 2/20 0.39
ACVR2A P27037 1/20 0.38
TGFBR2 P37173 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
PROKR1 Q8TCW9 2/20 0.36
TXNRD1 Q16881 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL29205649 0.93 IDO1 (0.50) IDO1PDE10AACVR2ATGFBR2ALOX5AP
SCHEMBL31339156 0.85 IDO1 (0.43) IDO1ACVR2ATGFBR2TXNRD1HTR3A
SCHEMBL25274140 0.85 IDO1 (0.43) IDO1ACVR2ATGFBR2TXNRD1HTR3A
SCHEMBL31266329 0.83 IDO1 (0.45) IDO1PDE10AMTNR1AMTNR1B
SCHEMBL20103353 0.81 IDO1 (0.48) IDO1MTNR1AMTNR1B
SCHEMBL2636703 0.79 IDO1 (0.39) IDO1HTR2AHTR2C
SCHEMBL21573257 0.76 MAP4K4 (0.45) ALOX5APFEN1KDM4EALDH1A1HPGD
SCHEMBL16815449 0.75 SMN1; SMN2 (0.40) IDO1ALOX5APFEN1KDM4EALDH1A1
SCHEMBL19905881 0.74 MAP4K4 (0.44) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL19905886 0.74 MAP4K4 (0.44) KDM4EALDH1A1NPC1HPGDRAB9A

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-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed