SCHEMBL8978554

SCHEMBL8978554

CCCn1c(-c2ccccc2N)n[nH]c1=S

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.56
ALDH1A1 P00352 10/20 0.55
HPGD P15428 5/20 0.55
GFER P55789 2/20 0.55
KDM4E B2RXH2 4/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GLA P06280 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
APOBEC3G Q9HC16 2/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8978556 0.88 ALDH1A1 (0.69) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978582 0.80 ALDH1A1 (0.71) TDP1ALDH1A1HPGDKDM4EALOX15
SCHEMBL8978568 0.75 KDM4E (0.63) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978564 0.74 TDP1 (0.69) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8931012 0.73 ALDH1A1 (0.57) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978522 0.73 ALDH1A1 (0.73) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978608 0.72 ALDH1A1 (0.74) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978565 0.72 ALDH1A1 (0.63) ALDH1A1HPGDGFERKDM4EHSD17B10
SCHEMBL8978575 0.71 ALDH1A1 (1.00) TDP1ALDH1A1HPGDGFERKDM4E
SCHEMBL8978553 0.71 ALDH1A1 (0.72) TDP1ALDH1A1HPGDGFERKDM4E

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed