SCHEMBL9538674

SCHEMBL9538674

Cc1ccc(-c2cn3c(cnc4ccccc43)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 4/20 0.39
GLA P06280 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 4/20 0.39
NFKB1 P19838 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
TP53 P04637 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL9540864 0.81 KDM4E (0.54) KDM4EMAPTGAARAB9ANPC1
SCHEMBL16328032 0.81 ALDH1A1 (0.46) KDM4EMAPTGAAGLAHPGD
SCHEMBL2815100 0.74 ALDH1A1 (0.41) KDM4EMAPTGAARAB9AGLA
SCHEMBL2818740 0.73 ADORA2A (0.58) KDM4EMAPTGAARAB9ANPC1
SCHEMBL9540820 0.73 ADORA2A (0.58) KDM4EGAARAB9ANPC1GLA
SCHEMBL9539492 0.71 FGFR1 (0.46) KDM4EMAPTGAARAB9ANPC1
SCHEMBL9542204 0.71 BCHE (0.49) KDM4EMAPTGAAGLAHPGD
SCHEMBL2816945 0.71 FYN (0.50) RAB9APOLBLMNAHSD17B10NFKB1
SCHEMBL2815669 0.71 KMT2A (0.44) KDM4EMAPTGAARAB9ANPC1
SCHEMBL9539461 0.71 NPC1 (0.58) KDM4EMAPTGAARAB9ANPC1

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-1993004066-A1 CERTAIN IMIDAZOQUINOXALINOLS; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-03-04 WO claimed