SCHEMBL9300879

SCHEMBL9300879

CSc1nc2c(ccc3ccccc32)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
XIAP P98170 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TOP2A P11388 5/20 0.39
KEAP1 Q14145 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30602945 1.00 TDP1 (0.45) TDP1XIAPSMN1; SMN2NPSR1MEN1
SCHEMBL11219451 0.86 ALDH1A1 (0.48) TDP1XIAPSMN1; SMN2MEN1KMT2A
SCHEMBL17427721 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1NPC1RAB9ATOP2A
SCHEMBL9304343 0.81 XIAP (0.46) TDP1XIAPSMN1; SMN2MEN1KMT2A
SCHEMBL2170681 0.77 RAB9A (0.53) TDP1XIAPSMN1; SMN2MEN1KMT2A
SCHEMBL29843187 0.77 RAB9A (0.53) TDP1XIAPSMN1; SMN2MEN1KMT2A
SCHEMBL11590047 0.75 XIAP (0.40) TDP1XIAPSMN1; SMN2NPSR1MEN1
SCHEMBL4139521 0.75 RAB9A (0.51) TDP1XIAPSMN1; SMN2MEN1KMT2A
SCHEMBL1801464 0.74 ALDH1A1 (0.52) TDP1XIAPSMN1; SMN2MEN1KMT2A
Iodomethane SCHEMBL9193628 0.74 RAB9A (0.50) TDP1XIAPSMN1; SMN2MEN1KMT2A

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-5326876-A Process for preparing an alkyl sulfonate derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed