SCHEMBL28534253

SCHEMBL28534253

Nc1cnn(-c2ccccc2O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KCNMA1 Q12791 1/20 0.35
ADORA1 P30542 4/20 0.35
ADORA2A P29274 3/20 0.35
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL29571825 0.78 ADORA2A (0.43) POLBALDH1A1TSHRKDM4EGAA
SCHEMBL15637454 0.78 ADORA2A (0.43) POLBALDH1A1TSHRKDM4EGAA
SCHEMBL29572130 0.78 NPC1 (0.42) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL28536416 0.78 ALDH1A1 (0.43) POLBIDO1ALDH1A1HPGDHIF1A
SCHEMBL15637243 0.78 NPC1 (0.42) ALDH1A1HPGDHSD17B10ALOX15KDM4E
SCHEMBL16797748 0.78 POLB (0.40) POLBIDO1ALDH1A1HPGDHIF1A
SCHEMBL11785056 0.76 ALDH1A1 (0.54) POLBALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5138027 0.75 MAPT (0.44) POLBIDO1ALDH1A1HPGDHSD17B10
SCHEMBL18039129 0.72 P2RX7 (0.53) POLBALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL28539628 0.71 GAA (0.41) POLBALDH1A1HPGDKDM4EGAA

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
CN-108842932-B High-adhesion polyolefin anti-adhesion film and preparation method thereof 江苏优珀斯材料科技有限公司 2021-03-19 CN disclosed