SCHEMBL8637434

SCHEMBL8637434

CCc1cc(N(C)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.41
POLB P06746 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CYP2C9 P11712 1/20 0.36
KLRK1 P26718 4/20 0.36
MICA Q29983 4/20 0.36
RAET1L Q5VY80 3/20 0.36
FPR2 P25090 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
APOB P04114 1/20 0.35
MTTP P55157 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL8637431 0.85 LGMN (0.37) PPARGPPARA
SCHEMBL8633152 0.83 RORC (0.38)
SCHEMBL8635259 0.80 ALDH1A1 (0.38)
SCHEMBL8634234 0.79 MEN1 (0.36) POLB
SCHEMBL8635203 0.78 HSP90AA1 (0.35) POLB
SCHEMBL8634165 0.76 ESR1 (0.39)
SCHEMBL8636273 0.75 ALDH1A1 (0.36) POLB
SCHEMBL8635757 0.73 SMN1; SMN2 (0.31) CYP2C9
SCHEMBL8636231 0.73 MCL1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8631189 0.73 MEN1 (0.31)

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
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed