SCHEMBL4716481

SCHEMBL4716481

CCN(Cc1cccc(C(F)(F)F)c1)Cc1ccc(S(=O)(=O)NCC(C)c2ccc(Cl)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.38
NR1H3 Q13133 1/20 0.38
CNR1 P21554 5/20 0.35
CNR2 P34972 2/20 0.35
CCR1 P32246 1/20 0.35
IDH1 O75874 1/20 0.35
PPARG P37231 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL4017082 0.86 SERPINE1 (0.40) CNR1CNR2CCR1IDH1PPARG
SCHEMBL4712382 0.84 CCR1 (0.41) CNR1CNR2CCR1PPARGMAPT
SCHEMBL4713478 0.81 NR1D1 (0.38) NR1D1NR1H3PPARGMAPTLMNA
SCHEMBL4716480 0.78 ALDH1A1 (0.37) CNR1CNR2IDH1PPARGMAPT
SCHEMBL4018016 0.75 PTGES (0.37) MAPTLMNAALDH1A1PTGER4MEN1
SCHEMBL4711948 0.74 CA1 (0.38) CNR1CNR2MAPT
SCHEMBL4714206 0.72 CA1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL4022515 0.71 CA1 (0.45)
SCHEMBL4022508 0.71 CA1 (0.45) IDH1ALDH1A1MEN1KMT2A
SCHEMBL4022922 0.69 EPHX1 (0.39) PPARGMAPTLMNAALDH1A1

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
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed