SCHEMBL21682154

SCHEMBL21682154

O=C(Nc1nc2ccc(Nc3ccccc3)cc2s1)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.70
HTT P42858 1/20 0.60
LCK P06239 3/20 0.58
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 1/20 0.56
LRRK2 Q5S007 1/20 0.56
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TOP1 P11387 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL17251803 0.90 CASP3 (0.65) SCDHTTHSD17B1HSD17B2LRRK2
SCHEMBL29532955 0.90 CASP3 (0.65) SCDHTTHSD17B1HSD17B2LRRK2
SCHEMBL21681925 0.86 RAB9A (0.68) SCDHTTLCKHSD17B1HSD17B2
SCHEMBL31398557 0.86 HSD17B10 (0.67) SCDHTTHSD17B1HSD17B2LRRK2
SCHEMBL21681919 0.84 NPC1 (0.57) SCDHTTHSD17B1HSD17B2CASP3
SCHEMBL14807588 0.83 TOP1 (0.74) SCDHTTCASP3SENP8SENP7
SCHEMBL6058291 0.83 HTT (0.61) SCDHTTLCKHSD17B1HSD17B2
SCHEMBL21682009 0.82 CASP3 (0.65) HSD17B1HSD17B2LRRK2CASP3SENP8
SCHEMBL21681916 0.82 MAP3K5 (0.69) SCDHTTHSD17B1HSD17B2LRRK2
SCHEMBL16553834 0.82 SCD (1.00) SCDHTTNPC1RAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4037706-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION University of Washington (US) 2022-08-10 EP claimed
WO-2021067480-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION UNIVERSITY OF WASHINGTON (US) 2021-04-08 WO claimed
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 claimed
EP-4037706-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION University of Washington (US) 2022-08-10 EP disclosed
WO-2021067480-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION UNIVERSITY OF WASHINGTON (US) 2021-04-08 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