SCHEMBL7758397

SCHEMBL7758397

CC(=O)c1cc2c[c]ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.42
PIN1 Q13526 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
SRD5A2 P31213 1/20 0.41
PDGFRB P09619 4/20 0.40
ABL1 P00519 1/20 0.40
KIT P10721 1/20 0.40
BCR P11274 1/20 0.40
EGFR P00533 2/20 0.39
PIK3CA P42336 2/20 0.39
PDGFRA P16234 3/20 0.39
SMAD3 P84022 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL3483232 0.84 HSD17B10 (0.59) FLT3PIN1KDM4EHPGDHSD17B10
SCHEMBL1202420 0.82 FLT3 (0.42) FLT3PIN1KDM4EHPGDHSD17B10
SCHEMBL6997369 0.78 FLT3 (0.74) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL3840675 0.78 KDM4E (0.41) FLT3PIN1KDM4EHPGDHSD17B10
SCHEMBL10593092 0.78 KDM4E (0.65) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL68771 0.76 FLT3 (0.71) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL2732420 0.73 FLT3 (0.73) FLT3PDGFRBABL1KITBCR
SCHEMBL15223730 0.73 HRH4 (0.62) FLT3PIN1KDM4EHPGDHSD17B10
SCHEMBL10242689 0.73 PIN1 (0.74) FLT3PIN1KDM4EHPGDHSD17B10
SCHEMBL12419265 0.72 PIN1 (0.46) FLT3PIN1KDM4EHPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed