SCHEMBL28033877

SCHEMBL28033877

O=c1ccc2c(OCCCO)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.44
PDE3A Q14432 6/20 0.44
MCL1 Q07820 3/20 0.43
ALB P02768 1/20 0.42
BCL2 P10415 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ATM Q13315 1/20 0.42
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SRD5A2 P31213 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL11222527 0.89 KDM4E (0.50) KDM4EATMALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11858150 0.88 KDM4E (0.49) KDM4EATMALDH1A1MEN1KMT2A
SCHEMBL11219891 0.86 HTR1D (0.52) KDM4EATMALDH1A1MEN1KMT2A
SCHEMBL9213988 0.86 GPR84 (0.41) PDE3BPDE3AMCL1ALBBCL2
SCHEMBL11287477 0.84 MCL1 (0.43) PDE3BPDE3AMCL1ALBBCL2
SCHEMBL11324130 0.79 CYP1A2 (0.44) PDE3BPDE3AMCL1ALBBCL2
SCHEMBL11319689 0.79 ADRB2 (0.42) MCL1ALBBCL2KDM4EATM
SCHEMBL11733248 0.78 CYP1A2 (0.55) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL11278209 0.78 POLB (0.43) PDE3BPDE3AMCL1ALBBCL2
SCHEMBL11225424 0.78 HTR1B (0.43) KDM4EATMALDH1A1MEN1KMT2A

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
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
CN-102459280-B Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-14 CN disclosed