SCHEMBL21709877

SCHEMBL21709877

Cc1cc2ccccc2cc1OCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
NPC1 O15118 2/20 0.56
SIGMAR1 Q99720 2/20 0.55
HTR2B P41595 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SYK P43405 1/20 0.52
LTA4H P09960 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL21730038 0.93 KDM4E (0.59) SIGMAR1HTR2BSMN1; SMN2TSHR
SCHEMBL14420826 0.84 POLB (0.67) POLBNPC1SMN1; SMN2DRD1DRD4
SCHEMBL21709942 0.84 DRD1 (0.54) POLBNPC1SIGMAR1HTR2BSMN1; SMN2
SCHEMBL21730110 0.83 NPC1 (0.53) POLBNPC1SIGMAR1RAB9ADRD1
SCHEMBL21730016 0.83 MEN1 (0.59) POLBNPC1SIGMAR1HTR2BRAB9A
SCHEMBL12058633 0.82 TDP1 (0.74) POLBNPC1SMN1; SMN2RAB9ADRD1
SCHEMBL21730018 0.82 POLB (0.54) POLBNPC1SMN1; SMN2DRD1DRD4
SCHEMBL15872036 0.80 SMN1; SMN2 (0.74) POLBNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL21730017 0.80 ALDH1A1 (0.51) NPC1SIGMAR1HTR2BRAB9ADRD1
SCHEMBL21681926 0.79 POLB (0.62) POLBNPC1SMN1; SMN2RAB9ADRD1

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
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO disclosed