SCHEMBL8933157

SCHEMBL8933157

C[U](C)(C)(C)n1nnc2ccccc21.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ DGAT1 O75907 1/20 0.40
▸ MGAM O43451 4/20 0.40
▸ AMY1A P0DUB6 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ SI P14410 4/20 0.40
▸ MGAM2 Q2M2H8 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL3853512 0.87 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL19617512 0.83 SLC9A1 (0.48) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL628179 0.83 SLC9A1 (0.48) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL19515117 0.77 POLB (0.75) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL380082 0.70 TSHR (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL9618513 0.69 POLB (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL30363379 0.69 POLB (0.52) SLC9A1POLBMAPK1ATMKEAP1
Phosphoric Acid SCHEMBL3485078 0.69 POLB (0.81) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL448453 0.69 HDAC3 (0.41) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL15878936 0.67 ALDH1A1 (0.56) MAPK1GAAKMT2AALDH1A1MAPT

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
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 — — WO disclosed
Send feedback