SCHEMBL21681990

SCHEMBL21681990

O=C(Nc1ccccn1)c1ccc2nc(Nc3ccc4ccccc4c3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.62
SIRT2 Q8IXJ6 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCD O00767 2/20 0.48
TNIK Q9UKE5 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL21772261 0.89 LCK (0.61) LCKSIRT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL21682161 0.78 SMN1; SMN2 (0.64) LCKKDM4EALDH1A1SMN1; SMN2SCD
SCHEMBL6058291 0.78 HTT (0.61) LCKALDH1A1SMN1; SMN2SCDNPC1
SCHEMBL21709937 0.78 NPC1 (0.70) LCKKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL21682154 0.78 SCD (0.70) LCKALDH1A1SMN1; SMN2SCDNPC1
SCHEMBL31398557 0.74 HSD17B10 (0.67) SMN1; SMN2SCDNPC1RAB9AHTT
SCHEMBL29532955 0.74 CASP3 (0.65) ALDH1A1SMN1; SMN2SCDNPC1RAB9A
SCHEMBL17251803 0.74 CASP3 (0.65) ALDH1A1SMN1; SMN2SCDNPC1RAB9A
SCHEMBL6057728 0.73 LCK (0.82) LCK
SCHEMBL21681925 0.73 RAB9A (0.68) LCKKDM4EALDH1A1SMN1; SMN2SCD

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
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