SCHEMBL6623767

SCHEMBL6623767

c1ccc2c(Nc3ncco3)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.52
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CDC25B P30305 1/20 0.49
ATM Q13315 1/20 0.49
EPHX2 P34913 1/20 0.46
MAPK1 P28482 1/20 0.42
FADS1 O60427 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL49213 0.73 HSD17B10 (0.74) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL27542221 0.73 PLAU (0.58) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL23172128 0.72 MAPK10 (0.55) ALDH1A1HPGDTP53MAPK1MAPT
SCHEMBL1921580 0.71 HSD17B10 (0.71) CCR4ALDH1A1HPGDHSD17B10TP53
Ammonia Solution, Strong SCHEMBL11586421 0.71 HSD17B10 (0.71) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL8500339 0.71 HSD17B10 (0.71) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL729232 0.71 FLT1 (0.46) ALDH1A1HSD17B10ALOX15TSHRATM
SCHEMBL904435 0.70 KMT2A (0.68) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL24490451 0.70 HSD17B10 (0.63) CCR4ALDH1A1HPGDHSD17B10TP53
SCHEMBL28654499 0.70 ULK1 (0.50) CCR4ALDH1A1HPGDHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed