SCHEMBL19003220

SCHEMBL19003220

CCOCC1CC[C@H](n2cnc3c(Cl)ncnc32)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.43
▸ ADORA3 P0DMS8 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ TYMP P19971 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27574575 0.88 BCHE (0.44) BCHEADORA3ALDH1A1MAPK1LMNA
SCHEMBL27536037 0.86 TYMP (0.40) BCHEALDH1A1MAPK1LMNAALB
SCHEMBL24021895 0.84 ALDH1A1 (0.45) BCHEADORA3ALDH1A1MAPK1LMNA
SCHEMBL12652428 0.82 BCHE (0.43) BCHEALDH1A1MAPK1LMNAALB
SCHEMBL2035452 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL24600957 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL2035453 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1LMNAALBABL1
SCHEMBL15713382 0.81 DNPH1 (0.47) ALDH1A1MAPK1LMNAALBPDE4D
SCHEMBL24021920 0.80 ALDH1A1 (0.47) BCHEADORA3ALDH1A1MAPK1LMNA
SCHEMBL23584557 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1LMNAALBTYMP

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-2137202-B1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD (IL) 2017-06-21 — — EP disclosed
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