SCHEMBL16631414

SCHEMBL16631414

CCc1cc2ccc[nH]c-2nc1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NR1I2 O75469 1/20 0.33
CYP1A2 P05177 1/20 0.33
VDR P11473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
AHR P35869 1/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 3/20 0.32
RXFP1 Q9HBX9 3/20 0.32

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
SCHEMBL16631462 0.82 SMN1; SMN2 (0.36) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL18081957 0.78 NR1I3 (0.41) NR1I3MAPTALDH1A1KDM4ENR1I2
SCHEMBL16631527 0.74 KMT2A (0.33) NR1I3MAPTRXFP1
SCHEMBL16631709 0.74 NR1I3 (0.41) NR1I3MAPTALDH1A1KDM4ENR1I2
SCHEMBL18080481 0.74 NR1I3 (0.35) NR1I3MAPTALDH1A1KDM4ENR1I2
SCHEMBL18081960 0.68 RAB9A (0.40) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL16631705 0.67 TNKS (0.33) MAPTALDH1A1KDM4E
SCHEMBL16631257 0.65 SELP (0.33) ADK
SCHEMBL11644693 0.65 SMN1; SMN2 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL18080446 0.65 NPC1 (0.32) MAPTALDH1A1HSD17B10TP53GAA

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed