SCHEMBL10650586

SCHEMBL10650586

CCS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)ccc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ENPP2 Q13822 6/20 0.48
▸ THRB P10828 2/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ PHLPP2 Q6ZVD8 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ FUT8 Q9BYC5 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ATM Q13315 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
SCHEMBL10393488 0.88 CYP1A2 (0.53) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL10648993 0.88 CYP1A2 (0.53) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL10393695 0.88 PRMT1 (0.55) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL10393483 0.88 PRMT1 (0.55) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL18218261 0.85 PRMT1 (0.56) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL8128621 0.85 PRMT1 (0.58) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL8128624 0.85 PRMT1 (0.58) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL16062682 0.85 PRMT1 (0.58) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL10393846 0.85 PRMT1 (0.58) PRMT1CYP1A2MEN1KMT2AHTT
SCHEMBL9256783 0.84 THRB (0.48) PRMT1CYP1A2MEN1KMT2AHTT

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-4754023-A Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member CIBA-GEIGY CORPORATION (US) 1988-06-28 — — US disclosed
EP-0144766-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 — — EP disclosed
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