SCHEMBL9807905

SCHEMBL9807905

Cc1nn2ccc3ccccc3c2nc1=NCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
HCRTR1 O43613 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
PDE10A Q9Y233 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 5/20 0.32
VSIR Q9H7M9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9807868 0.82 GSK3B (0.38) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL9808019 0.78 HTR1B (0.36) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL9807923 0.72 MAPT (0.41) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL9808007 0.72 MAPT (0.41) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL12145408 0.71 ALDH1A1 (0.43) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL9807926 0.68 GSK3B (0.41) MAPTMAPK1L3MBTL1LMNAHTT
SCHEMBL11416817 0.65 DHODH (0.50) SMN1; SMN2MAPTTP53MAPK1RAB9A
SCHEMBL11408756 0.64 IDO1 (0.41) SMN1; SMN2MAPTHCRTR1TP53ALOX15
SCHEMBL10309392 0.64 PDE10A (0.55) PDE10A
SCHEMBL11262382 0.63 DHODH (0.55) SMN1; SMN2MAPTRAB9APDE10ALMNA

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
US-4994448-A Analgesics, anesthetics, muscle relaxants EGIS GYOGYSZERGYAR (HU) 1991-02-19 US disclosed