SCHEMBL24936699

SCHEMBL24936699

N#Cc1csc(NC(=O)c2cccn2Cc2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
SCN3A Q9NY46 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GRM1 Q13255 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL24434840 0.88 GRM5 (0.45) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434761 0.86 GRM5 (0.46) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24435112 0.85 NPC1 (0.46) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434594 0.84 SCN3A (0.45) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434572 0.84 SCN3A (0.41) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24435306 0.84 POLB (0.45) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434729 0.84 NPC1 (0.62) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434813 0.84 GRM5 (0.58) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24435120 0.82 AOC3 (0.45) POLBNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24434682 0.82 SMN1; SMN2 (0.46) POLBNPC1HPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed