SCHEMBL27733892

SCHEMBL27733892

CCC(C)C(=O)O.Cc1nc2ccc(C=CCS(=O)(=O)n3ccc4cc(C(F)(F)F)ccc43)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 7/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 5/20 0.34
ALOX15 P16050 1/20 0.33
ACP1 P24666 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 1/20 0.32
CSNK1D P48730 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
P2RX3 P56373 1/20 0.31

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
SCHEMBL27713453 0.94 AKR1B1 (0.34) TP53MAPTPPARDPPARGPPARA
SCHEMBL28775095 0.89 DYRK1A (0.48) ACP1ALDH1A1DYRK1ACSNK1DSMN1; SMN2
SCHEMBL28943735 0.89 PPARG (0.41) TP53MAPTMEN1CYP2C9KMT2A
SCHEMBL27733685 0.88 PPARG (0.37) MEN1KMT2APPARDPPARGPPARA
SCHEMBL28770874 0.85 ALDH1A1 (0.35) PPARDPPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL27713348 0.82 PPARA (0.41) PPARDPPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL27910315 0.81 HTR6 (0.37) CYP2C9PPARG
SCHEMBL28791617 0.81 HTR6 (0.35) MEN1CYP2C9KMT2APPARDPPARG
SCHEMBL27713347 0.81 TRPM8 (0.38) MEN1CYP2C9KMT2AALDH1A1
SCHEMBL28775085 0.80 PPARG (0.41) CYP2C9KMT2APPARDPPARGPPARA

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed