SCHEMBL5697350

SCHEMBL5697350

Cc1onc2ccccc12.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.45
DYRK1A Q13627 1/20 0.43
CYP1A2 P05177 8/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
ALOX15 P16050 5/20 0.41
CYP2C19 P33261 5/20 0.41
USP2 O75604 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
HPGD P15428 1/20 0.41
NUDT1 P36639 1/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1423001 0.98 GPR3 (0.46) GPR3DYRK1ACYP1A2ALDH1A1HSD17B10
SCHEMBL31001160 0.73 ALDH1A1 (0.46) GPR3ALDH1A1HSD17B10ALOX15USP2
SCHEMBL8404501 0.71 DYRK1A (0.42) DYRK1ACYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL8404510 0.71 DYRK1A (0.54) DYRK1AALDH1A1HPGDLMNAKMT2A
SCHEMBL28601248 0.71 ALDH1A1 (0.38) GPR3CYP1A2ALDH1A1HSD17B10CYP3A4
SCHEMBL3816281 0.70 GPR3 (0.40) GPR3CYP1A2ALDH1A1HSD17B10CYP3A4
SCHEMBL7217441 0.70 MAOA (0.44) GPR3CYP1A2ALDH1A1HSD17B10ALOX15
SCHEMBL16118411 0.70 GPR3 (0.40) GPR3CYP1A2ALDH1A1HSD17B10CYP2C19
SCHEMBL1013979 0.70 ALDH1A1 (0.44) GPR3CYP1A2ALDH1A1HSD17B10USP2
SCHEMBL5276597 0.70 GPR3 (0.40) GPR3CYP1A2ALDH1A1HSD17B10HPGD

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-1682522-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE Wockhardt Limited (IN) 2006-07-26 EP claimed
WO-2005044808-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE WOCKHARDT LIMITED (IN) 2005-05-19 WO claimed
EP-1682522-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE Wockhardt Limited (IN) 2006-07-26 EP disclosed
WO-2005044808-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE WOCKHARDT LIMITED (IN) 2005-05-19 WO disclosed