SCHEMBL5565043

SCHEMBL5565043

Cc1cc(F)ccc1S(=O)(=O)Cl.Cc1ccc(F)cc1S(=O)(=O)Cl.Cc1ccc(S(=O)(=O)Cl)cc1F.Cc1ccc(S(=O)(=O)Cl)cc1F.O=S(=O)(Cl)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
PKM P14618 1/20 0.35
MEP1B Q16820 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MCL1 Q07820 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL18593 0.80 BRD1 (0.42) ALDH1A1LMNAPTGS2
SCHEMBL31674581 0.80 KMT2A (0.51) KMT2ARXFP1MEP1BTSHRMAPK1
SCHEMBL533075 0.80 KMT2A (0.51) KMT2ARXFP1MEP1BTSHRMAPK1
SCHEMBL181280 0.80 TSHR (0.47) KMT2ARXFP1PKMMEP1BTSHR
SCHEMBL29764212 0.80 TSHR (0.47) KMT2ARXFP1PKMMEP1BTSHR
SCHEMBL27881918 0.77 KMT2A (0.43) KMT2AMEP1BTSHRMCL1HTR2A
SCHEMBL11792843 0.74 TDP1 (0.42) PKMFFAR4ALDH1A1LMNA
SCHEMBL251516 0.74 LMNA (0.50) PKMTSHRALDH1A1LMNAPOLB
SCHEMBL4616004 0.74 LMNA (0.45) KMT2ATSHRFFAR4HTR2CALDH1A1
SCHEMBL4616013 0.71 KMT2A (0.42) KMT2ARXFP1PKMTSHRFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed