SCHEMBL9790922

SCHEMBL9790922

COC1(OC)C=CC(C(c2ccccc2)(c2ccccc2)C(O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)=CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.49
AHCY P23526 8/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
HIF1A Q16665 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90B1 P14625 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL5580213 0.82 ADORA1 (0.57) ADORA1AHCYPRMT5WDR77ADORA3
SCHEMBL5580212 0.80 ADORA1 (0.55) ADORA1AHCYPRMT5WDR77ADORA3
SCHEMBL1071563 0.77 ADORA1 (0.49) ADORA1AHCYADORA3ADORA2B
SCHEMBL29891224 0.76 SLC28A1 (0.38)
SCHEMBL7644145 0.75 TAAR1 (0.44) KMT2A
SCHEMBL7813911 0.74 ADORA1 (0.55) ADORA1AHCYPRMT5WDR77ADORA2B
SCHEMBL8601238 0.73 ADORA1 (0.53) ADORA1AHCYPRMT5WDR77ADORA3
SCHEMBL1068356 0.73 ADORA1 (0.54) ADORA1AHCYPRMT5WDR77ADORA3
SCHEMBL2111739 0.73 TYMP (0.48) ADORA1PRMT5WDR77ADORA2BADORA2A
SCHEMBL9096320 0.72 TYMP (0.56) ADORA1PRMT5WDR77ADORA2BADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043430-A Process for treating insoluble heterologous protein TOSOH CORPORATION (JP) 1991-08-27 US disclosed
EP-0329175-A1 Human nerve growth factor gene segment Tosoh Corporation (JP) 1989-08-23 EP disclosed