SCHEMBL6980741

SCHEMBL6980741

Nc1nc(Cc2ccc(O)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.43
TSHR P16473 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MCHR1 Q99705 1/20 0.42
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
MGLL Q99685 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
SCHEMBL6980066 0.92 ALDH1A1 (0.48) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL7123772 0.90 SMN1; SMN2 (0.51) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL6979916 0.88 ALDH1A1 (0.43) HPGDALDH1A1HSD17B10KMT2AMEN1
SCHEMBL6976438 0.76 NPC1 (0.45) KMT2ALMNAGAAMGLL
SCHEMBL6973351 0.76 DRD2 (0.52) ALDH1A1KMT2AMEN1LMNAMGLL
SCHEMBL6976878 0.73 HSD11B1 (0.51) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL6972446 0.71 HSD17B10 (0.48) HPGDALDH1A1HSD17B10SMN1; SMN2LMNA
SCHEMBL7466468 0.71 HPGD (0.71) HPGDALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL6975639 0.69 MAP3K12 (0.49) KMT2AMEN1LMNA
SCHEMBL786692 0.69 ALDH1A1 (0.76) HPGDALDH1A1HSD17B10CYP1A2CYP3A4

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
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed