SCHEMBL6892233

SCHEMBL6892233

CC(COC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)COc4ccccc4)nc32)C[C@@H]1O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLA1 P09884 1/20 0.40
TYMP P19971 1/20 0.39
POLB P06746 1/20 0.39
P2RY2 P41231 1/20 0.36
P2RY4 P51582 1/20 0.36
P2RY6 Q15077 1/20 0.36
HINT1 P49773 1/20 0.34
SLC29A1 Q99808 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NT5E P21589 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL6892237 0.87 SLC29A1 (0.45) P2RY2P2RY6SLC29A1ADORA3ADORA2B
SCHEMBL6890238 0.84 POLB (0.39) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL6895269 0.83 KDM4E (0.46) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL7898211 0.83 SLC29A1 (0.43) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL888235 0.82 TAS1R3 (0.49) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL6834210 0.80 SLC29A1 (0.43) P2RY2P2RY6SLC29A1ADORA3ADORA2B
SCHEMBL6830892 0.80 SLC29A1 (0.43) SLC29A1ADORA3ADORA2BADORA1
SCHEMBL6835937 0.80 SLC29A1 (0.43) P2RY2P2RY6SLC29A1ADORA3ADORA2B
SCHEMBL9446434 0.80 POLA1 (0.58) TAS1R3TAS1R1KDM4EPOLA1TYMP
SCHEMBL7038107 0.80 POLA1 (0.58) TAS1R3TAS1R1KDM4EPOLA1TYMP

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-1159064-B1 METHOD FOR PHOTOLYTICALLY DEPROTECTING IMMOBILIZED NUCLEOSIDE DERIVATIVES, ESPECIALLY IN THE PRODUCTION OF DNA CHIPS NIGU CHEMIE GMBH (DE) 2004-04-28 EP disclosed