SCHEMBL9412036

SCHEMBL9412036

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4nc(F)nc(F)n4)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.55
▸ CARM1 Q86X55 1/20 0.55
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ ENPP2 Q13822 10/20 0.48
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ FUT8 Q9BYC5 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL18232417 0.94 PRMT1 (0.51) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL4166597 0.90 PRMT1 (0.69) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL3697527 0.90 PRMT1 (0.69) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL18232414 0.89 PRMT1 (0.47) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL14388853 0.88 PRMT1 (0.49) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL18832710 0.88 PRMT1 (0.49) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL13881078 0.87 PRMT1 (0.47) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL13881089 0.87 PRMT1 (0.45) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL8972359 0.85 CD40 (0.56) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL71170 0.85 CD40 (0.56) PRMT1CARM1CD40CD40LGENPP2

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-0625551-A1 Mixtures of dyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1994-11-23 — — EP disclosed
Send feedback